Geometry & MOs

Info

ID:	271949
PubChem CID:	103704641
Reduced:	SN4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	284.083078
ΔH_f, kcal/mol:	16.92
Dipole, Da:	5.2
IP(EA), eV:	-8.34(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxybutan-2-ylsulfanyl)-N-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NC(=CN=C1)N)SC

DOS

IR

Vibrations