Geometry & MOs

Info

ID:	431002
PubChem CID:	135171072
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	450.112854
ΔH_f, kcal/mol:	37.89
Dipole, Da:	2.45
IP(EA), eV:	-8.85(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC=C(C1)NCC2=NOC(=C2)C3CC3)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations