Geometry & MOs

Info

ID:	142244
PubChem CID:	53006025
Reduced:	N3O3C11H13 (1)
Stoich.:	A3B3C11D13 (1)
Weight, g/mol:	453.172228
ΔH_f, kcal/mol:	-70.79
Dipole, Da:	5.38
IP(EA), eV:	-9.27(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-10-(3,4-dimethoxyphenyl)-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C(=NC=N2)OCC(=O)NC)C

DOS

IR

Vibrations