Geometry & MOs

Info

ID:	70554
PubChem CID:	48413505
Reduced:	O3N4C22H34 (1)
Stoich.:	A3B4C22D34 (1)
Weight, g/mol:	389.224932
ΔH_f, kcal/mol:	-140.75
Dipole, Da:	8.34
IP(EA), eV:	-8.44(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)CNC(=O)C1=CC=C(C=C1)N2CCCC2=O

DOS

IR

Vibrations