Geometry & MOs

Info

ID:

334695

PubChem CID:

127253370

Reduced:

N3O8C38H47 (1)

Stoich.:

A3B8C38D47 (1)

Weight, g/mol:

435.144865

ΔHf, kcal/mol:

-216.89

Dipole, Da:

6.6

IP(EA), eV:

 -8.21(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[(4-hydroxycyclohexyl)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)NC1CCC2=CC(=C(C=C12)OC)OC)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations