Geometry & MOs

Info

ID:	70555
PubChem CID:	48413506
Reduced:	OSN5C20H31 (1)
Stoich.:	ABC5D20E31 (1)
Weight, g/mol:	381.165703
ΔH_f, kcal/mol:	-8.32
Dipole, Da:	6.41
IP(EA), eV:	-8.47(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)CN1C(=NNC1=S)C2=CC=CC(=C2)C

DOS

IR

Vibrations