Geometry & MOs

Info

ID:	304809
PubChem CID:	124766195
Reduced:	N2O5H28C29 (1)
Stoich.:	A2B5C28D29 (1)
Weight, g/mol:	435.215806
ΔH_f, kcal/mol:	-118.32
Dipole, Da:	0.94
IP(EA), eV:	-8.56(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,5R,6S,7R)-2-N-cyclopentyl-6-N-(2-methylphenyl)-4-oxo-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

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

CCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)[C@@](N[C@H]3C4=CC=CC=C4C)(C5=CC=CC=C5)C(=O)OC

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

CCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)[C@@](N[C@H]3C4=CC=CC=C4C)(C5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):