Geometry & MOs

Info

ID:	156245
PubChem CID:	56369807
Reduced:	IN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	465.183461
ΔH_f, kcal/mol:	-115.01
Dipole, Da:	4.05
IP(EA), eV:	-9.32(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1CCCN(C1)C(=O)CNC(=O)C2=CC=CC=C2I

DOS

IR

Vibrations