Geometry & MOs

Info

ID:	243186
PubChem CID:	99216666
Reduced:	FO2N5C20H26 (1)
Stoich.:	AB2C5D20E26 (1)
Weight, g/mol:	440.168225
ΔH_f, kcal/mol:	-48.63
Dipole, Da:	4.83
IP(EA), eV:	-8.42(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N-[3-(2-fluoro-N-methylanilino)propyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)[C@@H]2CCCN(C2)C(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)F

DOS

IR

Vibrations