Geometry & MOs

Info

ID:	62362
PubChem CID:	26719633
Reduced:	SN3O4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	417.135842
ΔH_f, kcal/mol:	-2.23
Dipole, Da:	10.45
IP(EA), eV:	-9.34(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5-nitrophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)OCC3=CSC=N3

DOS

IR

Vibrations