Geometry & MOs

Info

ID:	430921
PubChem CID:	135170991
Reduced:	FON3C24H28 (1)
Stoich.:	ABC3D24E28 (1)
Weight, g/mol:	452.152969
ΔH_f, kcal/mol:	-43.4
Dipole, Da:	5.05
IP(EA), eV:	-8.9(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CC(=C4)F

DOS

IR

Vibrations