Geometry & MOs

Info

ID:	165974
PubChem CID:	74620981
Reduced:	ClOSF2N3H14C16 (1)
Stoich.:	ABCD2E3F14G16 (1)
Weight, g/mol:	414.07736
ΔH_f, kcal/mol:	-68.08
Dipole, Da:	3.98
IP(EA), eV:	-9.56(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-2-[[6-(3,4-difluorophenyl)-5-oxo-1,2,4-triazinan-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CSC2NC(=O)C(NN2)C3=CC(=C(C=C3)F)F)Cl

DOS

IR

Vibrations