Geometry & MOs

Info

ID:	141019
PubChem CID:	52803119
Reduced:	NO4C21H25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	422.106706
ΔH_f, kcal/mol:	-148.65
Dipole, Da:	5.08
IP(EA), eV:	-8.66(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)O)NC(=O)[C@H]2CC3=C(C=C(C=C3)OC)OC2

DOS

IR

Vibrations