Geometry & MOs

Info

ID:	69158
PubChem CID:	46525642
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	384.116859
ΔH_f, kcal/mol:	-83.31
Dipole, Da:	5.83
IP(EA), eV:	-8.78(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[[1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]thiourea

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)SC(=N2)NC(=O)C3=CC=C(C=C3)NC(=O)OCC

DOS

IR

Vibrations