Geometry & MOs

Info

ID:	156178
PubChem CID:	56369415
Reduced:	SN3O5C24H29 (1)
Stoich.:	AB3C5D24E29 (1)
Weight, g/mol:	479.199111
ΔH_f, kcal/mol:	-148.11
Dipole, Da:	5.32
IP(EA), eV:	-9.58(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC4CC4

DOS

IR

Vibrations