Geometry & MOs

Info

ID:	130442
PubChem CID:	51090870
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	318.151433
ΔH_f, kcal/mol:	-46.8
Dipole, Da:	6.85
IP(EA), eV:	-8.58(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CCOCCCC(=O)NC1=CC=CC=C1C2=NNC(=N2)C(C)C

DOS

IR

Vibrations