Geometry & MOs

Info

ID:	178202
PubChem CID:	76294133
Reduced:	BrN4O5C20H20 (1)
Stoich.:	AB4C5D20E20 (1)
Weight, g/mol:	473.198442
ΔH_f, kcal/mol:	-92.84
Dipole, Da:	2.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.744568
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-acetamidophenyl)sulfonylamino]-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]propanamide

Drug info:

PubChemData

Smile

CN1C(=O)C2C=CC(=NC2=[N+](C1=O)C)C(=O)NC(CC(=O)OC)C3=CC(=CC=C3)Br

DOS

IR

Vibrations