Geometry & MOs

Info

ID:	244181
PubChem CID:	99319246
Reduced:	F2N2O2S2H18C21 (1)
Stoich.:	A2B2C2D2E18F21 (1)
Weight, g/mol:	364.105705
ΔH_f, kcal/mol:	-99.35
Dipole, Da:	2.49
IP(EA), eV:	-8.86(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-[2-(3-phenylsulfanylpropanoylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCCNC(=O)C2=C(C=C(C=C2)F)F)SCC3=CC=CS3

DOS

IR

Vibrations