Geometry & MOs

Info

ID:	62359
PubChem CID:	26719630
Reduced:	ClO3N5H14C17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	369.078327
ΔH_f, kcal/mol:	39.18
Dipole, Da:	12.12
IP(EA), eV:	-9.26(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-N-(2-methyl-5-nitrophenyl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=NN(C(=N2)C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations