Geometry & MOs

Info

ID:	38562
PubChem CID:	8137075
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	403.02014
ΔH_f, kcal/mol:	-104.59
Dipole, Da:	4.79
IP(EA), eV:	-8.91(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)sulfonylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3

DOS

IR

Vibrations