Geometry & MOs

Info

ID:	27848
PubChem CID:	823866
Reduced:	NSO4H9C15 (1)
Stoich.:	ABC4D9E15 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	-7.5
Dipole, Da:	8.37
IP(EA), eV:	-9.89(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

DOS

IR

Vibrations