Geometry & MOs

Info

ID:	233562
PubChem CID:	91145459
Reduced:	FN2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	336.125612
ΔH_f, kcal/mol:	88.82
Dipole, Da:	4.2
IP(EA), eV:	-7.97(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-ethyl-5-methoxy-1,2,4-triazol-3-yl)ethyl]-2-phenylethenesulfonamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C=C1)NC2=NC=C(C(C(=C2C)C)C)C)F

DOS

IR

Vibrations