Geometry & MOs

Info

ID:

334069

PubChem CID:

127252621

Reduced:

SN3O7H29C31 (1)

Stoich.:

AB3C7D29E31 (1)

Weight, g/mol:

473.152161

ΔHf, kcal/mol:

-178.73

Dipole, Da:

9.35

IP(EA), eV:

 -8.12(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCS(=O)(=O)N5C[C@H]6C[C@@H](C5)C7=CC=CC(=O)N7C6)OC

DOS

IR

Vibrations