Geometry & MOs

Info

ID:	62367
PubChem CID:	26719639
Reduced:	ClSN3O3H14C18 (1)
Stoich.:	ABC3D3E14F18 (1)
Weight, g/mol:	430.99393
ΔH_f, kcal/mol:	13.41
Dipole, Da:	10.23
IP(EA), eV:	-9.32(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-bromophenyl)-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)CC2=CSC(=N2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations