Geometry & MOs

Info

ID:	431026
PubChem CID:	135171096
Reduced:	NOC8H9 (1)
Stoich.:	ABC8D9 (1)
Weight, g/mol:	438.137319
ΔH_f, kcal/mol:	19.07
Dipole, Da:	3.13
IP(EA), eV:	-9.42(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 7-[(2-ethoxy-5-fluoropyridin-3-yl)sulfanylamino]-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylate

Drug info:

PubChemData

Smile

C/C=C\C1=C(C=CO1)C=N

DOS

IR

Vibrations