Geometry & MOs

Info

ID:	62366
PubChem CID:	26719638
Reduced:	SN4O4C20H20 (1)
Stoich.:	AB4C4D20E20 (1)
Weight, g/mol:	387.04444
ΔH_f, kcal/mol:	-57.16
Dipole, Da:	13.74
IP(EA), eV:	-9.08(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-5-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C3=C(S2)N=C4CCCCCN4C3=O)C

DOS

IR

Vibrations