Geometry & MOs

Info

ID:	264090
PubChem CID:	103427582
Reduced:	ON2S2C14H22 (1)
Stoich.:	AB2C2D14E22 (1)
Weight, g/mol:	325.968354
ΔH_f, kcal/mol:	-33.8
Dipole, Da:	4.46
IP(EA), eV:	-8.19(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4,6-dichloroindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=C(C(=C(S1)NC(C)C2CC2)SC)N

DOS

IR

Vibrations