Geometry & MOs

Info

ID:	155228
PubChem CID:	56322912
Reduced:	ClSN3O3C21H22 (1)
Stoich.:	ABC3D3E21F22 (1)
Weight, g/mol:	430.211724
ΔH_f, kcal/mol:	-70.42
Dipole, Da:	8.05
IP(EA), eV:	-9.06(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclohexylbenzimidazol-2-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C3=C(C4=CC=CC=C4N3)Cl

DOS

IR

Vibrations