Geometry & MOs

Info

ID:	70557
PubChem CID:	48413509
Reduced:	N3O4C20H33 (1)
Stoich.:	A3B4C20D33 (1)
Weight, g/mol:	403.240582
ΔH_f, kcal/mol:	-167.88
Dipole, Da:	2.99
IP(EA), eV:	-8.48(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations