Geometry & MOs

Info

ID:	283633
PubChem CID:	103994678
Reduced:	BrSN2O3C13H19 (1)
Stoich.:	ABC2D3E13F19 (1)
Weight, g/mol:	391.90212
ΔH_f, kcal/mol:	-125.04
Dipole, Da:	6.11
IP(EA), eV:	-9.55(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(2-cyanopropan-2-yl)-5-iodobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C(=O)O)NC(=O)NCCC1=CC=C(S1)Br

DOS

IR

Vibrations