Geometry & MOs

Info

ID:	40083
PubChem CID:	8143540
Reduced:	FSN4C19H19 (1)
Stoich.:	ABC4D19E19 (1)
Weight, g/mol:	373.129849
ΔH_f, kcal/mol:	55.51
Dipole, Da:	3.93
IP(EA), eV:	-8.36(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(2,4-difluorophenyl)-5-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

C1CCN(C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations