Geometry & MOs

Info

ID:	140489
PubChem CID:	52708268
Reduced:	FSO3N4C24H27 (1)
Stoich.:	ABC3D4E24F27 (1)
Weight, g/mol:	461.217538
ΔH_f, kcal/mol:	-28.1
Dipole, Da:	5.84
IP(EA), eV:	-8.46(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[2-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-2-oxoethyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)[N-]CC2=CC(=[NH+]C=C2)N3CCN(CC3)C4=CC=C(C=C4)F)OC

DOS

IR

Vibrations