Geometry & MOs

Info

ID:	131057
PubChem CID:	51149418
Reduced:	SN2O4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	378.087198
ΔH_f, kcal/mol:	-117.7
Dipole, Da:	4.85
IP(EA), eV:	-8.34(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-methylsulfanylphenyl)propanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)SC)OC

DOS

IR

Vibrations