Geometry & MOs

Info

ID:	237785
PubChem CID:	92721509
Reduced:	NOC9H11 (3)
Stoich.:	ABC9D11 (3)
Weight, g/mol:	447.252192
ΔH_f, kcal/mol:	-78.18
Dipole, Da:	7.45
IP(EA), eV:	-8.56(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C3=CC4=C(N3C[C@@]2(C)C(=O)NC5CCCCCC5)C=C(O4)C

DOS

IR

Vibrations