Geometry & MOs

Info

ID:	243131
PubChem CID:	99215836
Reduced:	NO2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	399.080826
ΔH_f, kcal/mol:	-83.3
Dipole, Da:	2.57
IP(EA), eV:	-8.86(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-(4-chloro-2-methylphenyl)-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC=C(C=C3)CNC(=O)C=C

DOS

IR

Vibrations