Geometry & MOs

Info

ID:	319993
PubChem CID:	126657766
Reduced:	N2O5H16C17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	724.513886
ΔH_f, kcal/mol:	-20.92
Dipole, Da:	6.42
IP(EA), eV:	-10.42(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[3-[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4,4-dimethylcyclohexyl]oxypropylamino]-2-oxoethoxy]ethyl]-3-(2-imino-5-oxopyrrol-1-yl)propanamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC1(C2=C(CCC3=C1C=C(C=C3)[N+](=O)[O-])C=CC(=C2)[N+](=O)[O-])O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC1(C2=C(CCC3=C1C=C(C=C3)[N+](=O)[O-])C=CC(=C2)[N+](=O)[O-])O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):