Geometry & MOs

Info

ID:	430700
PubChem CID:	135170766
Reduced:	OSN4H10C16 (1)
Stoich.:	ABC4D10E16 (1)
Weight, g/mol:	409.086305
ΔH_f, kcal/mol:	84.94
Dipole, Da:	3.19
IP(EA), eV:	-9.01(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-[(5-chloro-2-methoxyphenyl)sulfanyl-methylamino]-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl]-2-hydroxyethanone

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NC3=C(C(=O)N2C4=CN=CC=C4)SC=C3

DOS

IR

Vibrations