Geometry & MOs

Info

ID:	195761
PubChem CID:	78732353
Reduced:	SN2O4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	388.107064
ΔH_f, kcal/mol:	-167.25
Dipole, Da:	8.81
IP(EA), eV:	-8.87(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)hydrazinyl]-2-oxoethyl] 2-(3-fluorophenyl)acetate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)CC3CCS(=O)(=O)C3

DOS

IR

Vibrations