Geometry & MOs

Info

ID:	243149
PubChem CID:	99216017
Reduced:	FSO2N3C22H22 (1)
Stoich.:	ABC2D3E22F22 (1)
Weight, g/mol:	411.141676
ΔH_f, kcal/mol:	-67.35
Dipole, Da:	3.26
IP(EA), eV:	-8.84(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=CC(=CC=C1)F)C(=O)[C@@H]2CSCN2C(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations