Geometry & MOs

Info

ID:

334516

PubChem CID:

127253191

Reduced:

N3O3C16H21 (2)

Stoich.:

A3B3C16D21 (2)

Weight, g/mol:

511.103394

ΔHf, kcal/mol:

-37.17

Dipole, Da:

1.67

IP(EA), eV:

 -7.91(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)amino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=NNC(=N1)C(C)C)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations