Geometry & MOs

Info

ID:	141186
PubChem CID:	52834170
Reduced:	BrN2O4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	343.987854
ΔH_f, kcal/mol:	-90.7
Dipole, Da:	5.69
IP(EA), eV:	-8.78(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chlorothiophen-2-yl)-N-(thian-4-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NCCNC(=O)C3=CC(=CC=C3)Br)C

DOS

IR

Vibrations