Geometry & MOs

Info

ID:

334856

PubChem CID:

127253662

Reduced:

NO6H31C33 (1)

Stoich.:

AB6C31D33 (1)

Weight, g/mol:

499.151013

ΔHf, kcal/mol:

-129.51

Dipole, Da:

7.85

IP(EA), eV:

 -7.93(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3,3'-dioxospiro[1-benzofuran-2,4'-cyclohexene]-1'-yl]amino]-N-pyridin-3-ylbutanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=O)C=C2C3=CC4=C(C(=C5C(=C4CCN3C)C=CC6=CC(=C(C=C65)OC)OC)OC)OC

DOS

IR

Vibrations