Geometry & MOs

Info

ID:	37955
PubChem CID:	8025894
Reduced:	ClN2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	399.127107
ΔH_f, kcal/mol:	-50.29
Dipole, Da:	1.6
IP(EA), eV:	-8.88(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-cyclohexylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CNC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations