Geometry & MOs

Info

ID:	243571
PubChem CID:	99226919
Reduced:	SN2O5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	376.109293
ΔH_f, kcal/mol:	-103.24
Dipole, Da:	3.4
IP(EA), eV:	-9.44(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(2-methylphenyl)propan-2-yl]-3-methylsulfonyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C[C@@H](C)NC(=O)C2=CC(=CC(=C2)S(=O)(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations