Geometry & MOs

Info

ID:	230845
PubChem CID:	87572129
Reduced:	ClSF2N3O4H12C18 (1)
Stoich.:	ABC2D3E4F12G18 (1)
Weight, g/mol:	784.050799
ΔH_f, kcal/mol:	-125.1
Dipole, Da:	1.49
IP(EA), eV:	-9.77(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[[2-[[3-(2-chlorophenyl)-2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@@H]2[C@@](O2)(CN3C(=NC=N3)SOC(=O)O)C4=C(C=C(C=C4)F)F)Cl

DOS

IR

Vibrations