Geometry & MOs

Info

ID:	130900
PubChem CID:	51123925
Reduced:	SO3N5C16H23 (1)
Stoich.:	AB3C5D16E23 (1)
Weight, g/mol:	331.099063
ΔH_f, kcal/mol:	-40.25
Dipole, Da:	7.49
IP(EA), eV:	-9.13(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5-nitrophenyl)-3-(5-methylpyridin-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CSCC(=O)N(CC2=CN(N=C2)C)C(C)C

DOS

IR

Vibrations