Geometry & MOs

Info

ID:	37229
PubChem CID:	8018535
Reduced:	FNO4H16C23 (1)
Stoich.:	ABC4D16E23 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-105.77
Dipole, Da:	2.66
IP(EA), eV:	-9.27(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-cyanophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide

Drug info:

PubChemData

Smile

C1C2=C(C(=CC(=C2)F)COC(=O)C3=CC=C(C=C3)C#N)O[C@H](O1)C4=CC=CC=C4

DOS

IR

Vibrations