Geometry & MOs

Info

ID:	62705
PubChem CID:	26736270
Reduced:	N2O5H24C26 (1)
Stoich.:	A2B5C24D26 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	-131.17
Dipole, Da:	8.07
IP(EA), eV:	-8.22(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyphenyl)-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)NC4=CC=CC=C4OCC

DOS

IR

Vibrations