Geometry & MOs

Info

ID:

334689

PubChem CID:

127253364

Reduced:

SN5O7C32H41 (1)

Stoich.:

AB5C7D32E41 (1)

Weight, g/mol:

500.135029

ΔHf, kcal/mol:

-176.06

Dipole, Da:

7.91

IP(EA), eV:

 -8.42(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)[C@H](CCSC)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations