Geometry & MOs

Info

ID:	39609
PubChem CID:	8141611
Reduced:	ClSF2N2O2H11C17 (1)
Stoich.:	ABC2D2E2F11G17 (1)
Weight, g/mol:	412.105705
ΔH_f, kcal/mol:	-119.29
Dipole, Da:	8.43
IP(EA), eV:	-9.08(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-phenyl-2-phenylsulfanylacetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)F)Cl

DOS

IR

Vibrations