Geometry & MOs

Info

ID:	378035
PubChem CID:	134224103
Reduced:	ClFSN2O2H16C17 (1)
Stoich.:	ABCD2E2F16G17 (1)
Weight, g/mol:	421.129215
ΔH_f, kcal/mol:	-88.17
Dipole, Da:	3.28
IP(EA), eV:	-8.32(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(NC1=C(C2=CC=CC=C2S1)NC3=CC(=C(C=C3)F)Cl)O

DOS

IR

Vibrations