Geometry & MOs

Info

ID:	58009
PubChem CID:	24398219
Reduced:	ClO2S2N3H16C18 (1)
Stoich.:	AB2C2D3E16F18 (1)
Weight, g/mol:	397.895
ΔH_f, kcal/mol:	-6.38
Dipole, Da:	2.49
IP(EA), eV:	-8.9(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)NC1=NC(=CS1)C2=CC=C(S2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations