Geometry & MOs

Info

ID:	131535
PubChem CID:	51222344
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	330.103814
ΔH_f, kcal/mol:	-31.68
Dipole, Da:	9.54
IP(EA), eV:	-8.92(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[1-(3-nitrophenyl)ethyl]-2-phenylsulfanylacetamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=O)/C=C/C2=CC=C(C=C2)OC

DOS

IR

Vibrations