Geometry & MOs

Info

ID:	252683
PubChem CID:	103113214
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	321.96229
ΔH_f, kcal/mol:	-81.37
Dipole, Da:	6.09
IP(EA), eV:	-10.13(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-N-[(2-methyl-3-nitrophenyl)methyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C2CC(=O)NC2

DOS

IR

Vibrations