Geometry & MOs

Info

ID:	243124
PubChem CID:	99215801
Reduced:	NCl2O4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	433.041853
ΔH_f, kcal/mol:	-139.77
Dipole, Da:	7.89
IP(EA), eV:	-9.33(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N-[(2,4-dichlorophenyl)methyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)COC1=CC=CC(=C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations