Geometry & MOs

Info

ID:	70545
PubChem CID:	48413492
Reduced:	FO2N3C18H28 (1)
Stoich.:	AB2C3D18E28 (1)
Weight, g/mol:	395.181353
ΔH_f, kcal/mol:	-138.21
Dipole, Da:	4.27
IP(EA), eV:	-8.65(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-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)F

DOS

IR

Vibrations