Geometry & MOs

Info

ID:	155848
PubChem CID:	56367835
Reduced:	SN2O5H24C26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	448.109293
ΔH_f, kcal/mol:	-107.15
Dipole, Da:	4.2
IP(EA), eV:	-8.39(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-oxo-1,4-benzoxazin-4-yl)-N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=CC(=CC=C2)OCC(=O)NC3=CC4=C(C=C3SC5=CC=CC=C5)OCCO4

DOS

IR

Vibrations