Geometry & MOs

Info

ID:	243148
PubChem CID:	99216015
Reduced:	NO2C14H14 (2)
Stoich.:	AB2C14D14 (2)
Weight, g/mol:	411.141676
ΔH_f, kcal/mol:	-72.8
Dipole, Da:	1.86
IP(EA), eV:	-8.33(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2[C@@H](N(CCC2=C1)C(=O)C3=CC=C(C=C3)CNC(=O)C=C)C4=CC=CC=C4)OC

DOS

IR

Vibrations