Geometry & MOs

Info

ID:	243570
PubChem CID:	99226889
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	376.109293
ΔH_f, kcal/mol:	-61.18
Dipole, Da:	7.45
IP(EA), eV:	-8.5(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)CC2=CC=CC=C2CNC(=O)C3=C(C=CC(=C3)OC)[N+](=O)[O-])C

DOS

IR

Vibrations