Geometry & MOs

Info

ID:	430997
PubChem CID:	135171067
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	394.086639
ΔH_f, kcal/mol:	24.47
Dipole, Da:	5.93
IP(EA), eV:	-8.63(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(5-chloro-2-methoxyphenyl)sulfanylamino]-N-methyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC=C(C1)NCC2=CON=C2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations