Geometry & MOs

Info

ID:	377878
PubChem CID:	134223943
Reduced:	ClFON5H17C21 (1)
Stoich.:	ABCD5E17F21 (1)
Weight, g/mol:	435.144865
ΔH_f, kcal/mol:	4.23
Dipole, Da:	4.5
IP(EA), eV:	-8.67(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-tert-butyl-2-chloro-3-(3-methoxypropoxy)-11-oxo-6,7-dihydropyrido[1,2-d][1,4]benzoxazepine-10-carboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=CC(=C1)C2=NC=CC3=C2NC(=C3NC4=CC(=C(C=C4)F)Cl)N

DOS

IR

Vibrations