Geometry & MOs

Info

ID:	178413
PubChem CID:	76324936
Reduced:	OS2F3N5C22H22 (1)
Stoich.:	AB2C3D5E22F22 (1)
Weight, g/mol:	503.162509
ΔH_f, kcal/mol:	-55.15
Dipole, Da:	2.66
IP(EA), eV:	-8.55(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl] 4-(2,3-dimethylphenyl)piperazine-1-carbodithioate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C(=S)SCC(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O

DOS

IR

Vibrations