Geometry & MOs

Info

ID:	34192
PubChem CID:	7890244
Reduced:	SF2N3O4H11C14 (1)
Stoich.:	AB2C3D4E11F14 (1)
Weight, g/mol:	369.124609
ΔH_f, kcal/mol:	-146.03
Dipole, Da:	5.04
IP(EA), eV:	-9.51(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-hydroxybenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])SC(F)F

DOS

IR

Vibrations