Geometry & MOs

Info

ID:	194169
PubChem CID:	78493391
Reduced:	SN2O3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	413.104542
ΔH_f, kcal/mol:	-46.78
Dipole, Da:	1.92
IP(EA), eV:	-8.99(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-trien-10-yl)methyl 2-[(3-methoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(=O)OCC2=NC(=O)C3C4=C(CCC4)SC3=N2

DOS

IR

Vibrations