Geometry & MOs

Info

ID:	430831
PubChem CID:	135170898
Reduced:	ClON3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	464.128504
ΔH_f, kcal/mol:	13.51
Dipole, Da:	4.58
IP(EA), eV:	-8.74(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-[(5-chloro-2-methoxyphenyl)sulfanylamino]-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl]-2-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CCN(C1CCC=C(C1)NCC2=CC(=CC=C2)Cl)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations