Geometry & MOs

Info

ID:	252271
PubChem CID:	103110189
Reduced:	OSN2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	276.085855
ΔH_f, kcal/mol:	-5.12
Dipole, Da:	2.94
IP(EA), eV:	-8.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-N'-[(2-methyl-3-nitrophenyl)methyl]oxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC(=O)C2=CC=CC=C2SC

DOS

IR

Vibrations