Geometry & MOs

Info

ID:	11862
PubChem CID:	122077
Reduced:	ClSN3O3H14C20 (1)
Stoich.:	ABC3D3E14F20 (1)
Weight, g/mol:	411.04444
ΔH_f, kcal/mol:	-22.99
Dipole, Da:	5.06
IP(EA), eV:	-9.14(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(N2CC(=O)O)C(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl

DOS

IR

Vibrations