Geometry & MOs

Info

ID:	209258
PubChem CID:	80644646
Reduced:	ClNSO3H8C9 (1)
Stoich.:	ABCD3E8F9 (1)
Weight, g/mol:	315.974312
ΔH_f, kcal/mol:	-85.21
Dipole, Da:	7.36
IP(EA), eV:	-9.71(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(3-chlorothiophene-2-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1(C(=O)O)NC(=O)C2=C(C=CS2)Cl

DOS

IR

Vibrations