Geometry & MOs

Info

ID:	56109
PubChem CID:	17404491
Reduced:	SO3N4C22H32 (1)
Stoich.:	AB3C4D22E32 (1)
Weight, g/mol:	476.16306
ΔH_f, kcal/mol:	-99.6
Dipole, Da:	5.66
IP(EA), eV:	-8.51(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)C)NCC(=O)NC2=C(C=C(C=C2)C)C

DOS

IR

Vibrations