Geometry & MOs

Info

ID:	430748
PubChem CID:	135170815
Reduced:	ON5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	409.086305
ΔH_f, kcal/mol:	15.13
Dipole, Da:	3.55
IP(EA), eV:	-8.81(-0.4)
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-methoxyethanone

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CN=CN2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations