Geometry & MOs

Info

ID:	31786
PubChem CID:	3718172
Reduced:	ClSN3O3H20C22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	465.194008
ΔH_f, kcal/mol:	-12.83
Dipole, Da:	1.91
IP(EA), eV:	-8.77(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylphenyl) 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)N2C)C)Cl)OCC3=CC=CC=C3C#N

DOS

IR

Vibrations