Geometry & MOs

Info

ID:	430783
PubChem CID:	135170850
Reduced:	FO2N3C27H28 (1)
Stoich.:	AB2C3D27E28 (1)
Weight, g/mol:	466.107769
ΔH_f, kcal/mol:	-51.88
Dipole, Da:	2.69
IP(EA), eV:	-8.89(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxolan-3-yl 7-[(5-chloro-2-methoxypyridin-3-yl)sulfanyl-methylamino]-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C1=CCCC(C1)NCC2=C(C3=CC=CC=C3O2)C)C(=O)C4=CC5=C(N4)C=CC(=C5)F

DOS

IR

Vibrations