Geometry & MOs

Info

ID:	377770
PubChem CID:	134223835
Reduced:	NF2O6C23H25 (1)
Stoich.:	AB2C6D23E25 (1)
Weight, g/mol:	401.129694
ΔH_f, kcal/mol:	-306.72
Dipole, Da:	14.41
IP(EA), eV:	-9.25(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-10-(2-methoxyethyl)-2-oxo-6-propan-2-yl-6,7-dihydro-[1,3]benzoxathiolo[5,6-a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(C2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OC4CC(C4)OC)(F)F

DOS

IR

Vibrations