Geometry & MOs

Info

ID:	193912
PubChem CID:	78455356
Reduced:	SN4O7C23H34 (1)
Stoich.:	AB4C7D23E34 (1)
Weight, g/mol:	373.065831
ΔH_f, kcal/mol:	-277.23
Dipole, Da:	6.1
IP(EA), eV:	-8.99(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2-fluorophenyl)sulfanylethyl 2-(1,4-dioxophthalazin-2-ium-2-yl)acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)C2CN(CCN2C(=O)C3CCNCC3)S(=O)(=O)C

DOS

IR

Vibrations