Geometry & MOs

Info

ID:	352266
PubChem CID:	127283349
Reduced:	SN2O5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	394.152872
ΔH_f, kcal/mol:	-198.34
Dipole, Da:	2.69
IP(EA), eV:	-9.32(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-4H-1,4-benzoxazine-8-carboxamide

Drug info:

PubChemData

Smile

CCCN(C1CCS(=O)(=O)C1)C(=O)C2=C3C(=CC=C2)NC(=O)C(O3)C

DOS

IR

Vibrations