Geometry & MOs

Info

ID:	140925
PubChem CID:	52784729
Reduced:	F2N2O3C22H26 (1)
Stoich.:	A2B2C3D22E26 (1)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	-204.14
Dipole, Da:	4.64
IP(EA), eV:	-8.67(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)[C@@H](C)NC(=O)[C@@H](C(C)C)NC(=O)C2=C(C=CC=C2F)F

DOS

IR

Vibrations