Geometry & MOs

Info

ID:	219077
PubChem CID:	85090453
Reduced:	SN3O6C28H41 (1)
Stoich.:	AB3C6D28E41 (1)
Weight, g/mol:	547.133255
ΔH_f, kcal/mol:	-213.08
Dipole, Da:	9.9
IP(EA), eV:	-8.96(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-(4-chlorobenzoyl)indole-3-carbonyl]-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=C(C(=C(C=C1CC(=O)N(C)C(CN2CCCC2)C3=CC=CC=C3)OC)OC)OC

DOS

IR

Vibrations