Geometry & MOs

Info

ID:	205343
PubChem CID:	80090502
Reduced:	ClNBr2O2S2H6C10 (1)
Stoich.:	ABC2D2E2F6G10 (1)
Weight, g/mol:	279.077454
ΔH_f, kcal/mol:	-8.84
Dipole, Da:	4.64
IP(EA), eV:	-9.64(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NS(=O)(=O)C2=CC=C(S2)Br)Br)Cl

DOS

IR

Vibrations