Geometry & MOs

Info

ID:	155281
PubChem CID:	56352866
Reduced:	OS2N4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	412.139154
ΔH_f, kcal/mol:	75.65
Dipole, Da:	7.47
IP(EA), eV:	-8.56(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(cyclobutylmethyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1C2=CC=CC3=CC=CC=C32)N4C(=NNC4=S)C5=CC=CS5

DOS

IR

Vibrations