Geometry & MOs

Info

ID:	242905
PubChem CID:	99214091
Reduced:	N3O5C25H27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	460.04489
ΔH_f, kcal/mol:	-99.35
Dipole, Da:	5.03
IP(EA), eV:	-8.84(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC[C@H](C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)CC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations