Geometry & MOs

Info

ID:	237783
PubChem CID:	92721458
Reduced:	N3O3C25H35 (1)
Stoich.:	A3B3C25D35 (1)
Weight, g/mol:	467.197569
ΔH_f, kcal/mol:	-101.69
Dipole, Da:	6.9
IP(EA), eV:	-8.76(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11S)-10-[(4-chlorophenyl)methyl]-N-cycloheptyl-4,11-dimethyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CN2C3=C(C=C2C(=O)N1C4CCCCCC4)OC=C3)C(=O)NC5CCCCCC5

DOS

IR

Vibrations