Geometry & MOs

Info

ID:	155336
PubChem CID:	56352925
Reduced:	OSN3C24H35 (1)
Stoich.:	ABC3D24E35 (1)
Weight, g/mol:	447.122124
ΔH_f, kcal/mol:	-17.18
Dipole, Da:	4.21
IP(EA), eV:	-8.86(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)C(=O)NCC2CCCN(C2)CC3=CC=CS3)C(C)C

DOS

IR

Vibrations