Geometry & MOs

Info

ID:	237761
PubChem CID:	92721385
Reduced:	ClN3O3C25H28 (1)
Stoich.:	AB3C3D25E28 (1)
Weight, g/mol:	433.236542
ΔH_f, kcal/mol:	-69.54
Dipole, Da:	5.65
IP(EA), eV:	-8.93(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC4=C(N3C[C@@]2(C)C(=O)NC5CCCCCC5)C=CO4

DOS

IR

Vibrations