Geometry & MOs

Info

ID:	243162
PubChem CID:	99216211
Reduced:	SF2O2N3H17C20 (1)
Stoich.:	AB2C2D3E17F20 (1)
Weight, g/mol:	436.156912
ΔH_f, kcal/mol:	-111.79
Dipole, Da:	4.57
IP(EA), eV:	-9.05(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](N(CS1)C(=O)C2=CNC3=CC=CC=C32)C(=O)NCC4=CC(=CC(=C4)F)F

DOS

IR

Vibrations