Geometry & MOs

Info

ID:	121102
PubChem CID:	50755982
Reduced:	N2O5C13H14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	465.172228
ΔH_f, kcal/mol:	-163.89
Dipole, Da:	8.34
IP(EA), eV:	-8.62(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C=C(N2)C(=O)NCC(=O)O)OC

DOS

IR

Vibrations