Geometry & MOs

Info

ID:	298699
PubChem CID:	117654060
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	518.162391
ΔH_f, kcal/mol:	-37.55
Dipole, Da:	4.1
IP(EA), eV:	-8.12(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2,3-dihydro-1-benzofuran-5-yl)-7-oxo-6-[4-(3-oxothiomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCOC2=CC(=C(C=C2)N)C)N

DOS

IR

Vibrations