Geometry & MOs

Info

ID:	229431
PubChem CID:	87567635
Reduced:	S2Cl4N4O5H12C22 (1)
Stoich.:	A2B4C4D5E12F22 (1)
Weight, g/mol:	261.06689
ΔH_f, kcal/mol:	-79.62
Dipole, Da:	12.1
IP(EA), eV:	-9.34(-2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-phenyl-6,7,8,9-tetrahydropyrazino[2,3-f][1,4]oxazepine

Drug info:

PubChemData

Smile

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=CC(=C(C=C3C(=O)N/C(=C/C4=CC(=C(C=C4)Cl)Cl)/C(=O)O)Cl)Cl

DOS

IR

Vibrations