Geometry & MOs

Info

ID:	122755
PubChem CID:	50820432
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	400.182064
ΔH_f, kcal/mol:	-79.55
Dipole, Da:	4.97
IP(EA), eV:	-8.86(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C1(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations