Geometry & MOs

Info

ID:	70558
PubChem CID:	48413510
Reduced:	OSN5C21H33 (1)
Stoich.:	ABC5D21E33 (1)
Weight, g/mol:	403.240582
ΔH_f, kcal/mol:	-17.14
Dipole, Da:	3.29
IP(EA), eV:	-8.55(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)C

DOS

IR

Vibrations