Geometry & MOs

Info

ID:	54414
PubChem CID:	17154095
Reduced:	SN2O5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	451.123563
ΔH_f, kcal/mol:	-163.97
Dipole, Da:	7.83
IP(EA), eV:	-8.54(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylphenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations