Geometry & MOs

Info

ID:	243153
PubChem CID:	99216082
Reduced:	SN2O6C20H20 (1)
Stoich.:	AB2C6D20E20 (1)
Weight, g/mol:	434.141262
ΔH_f, kcal/mol:	-186.17
Dipole, Da:	9.89
IP(EA), eV:	-9.37(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)COC1=CC=CC(=C1)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

DOS

IR

Vibrations