Geometry & MOs

Info

ID:	161621
PubChem CID:	57392165
Reduced:	NSCl2O2H15C18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	414.026348
ΔH_f, kcal/mol:	-50.17
Dipole, Da:	4.2
IP(EA), eV:	-8.69(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C(C)C(=O)O)C=CC(=C2)Cl)SC3=CC=C(C=C3)Cl

DOS

IR

Vibrations