Geometry & MOs

Info

ID:	304744
PubChem CID:	124766120
Reduced:	FN2O4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	427.247107
ΔH_f, kcal/mol:	-151.77
Dipole, Da:	2.81
IP(EA), eV:	-9.14(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,5S,6S,7R)-2-N-cyclohexyl-3-cyclopentyl-6-N-cyclopropyl-4-oxo-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

CCOC(=O)[C@]1([C@H]2[C@H]([C@H](N1)C3=CC=CC=C3F)C(=O)N(C2=O)C4=CC=CC=C4)C

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

CCOC(=O)[C@]1([C@H]2[C@H]([C@H](N1)C3=CC=CC=C3F)C(=O)N(C2=O)C4=CC=CC=C4)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):