Geometry & MOs

Info

ID:	33534
PubChem CID:	7886854
Reduced:	FN2O5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	-136.5
Dipole, Da:	7.77
IP(EA), eV:	-9.19(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethoxyphenyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)F)C(=O)COC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations