Geometry & MOs

Info

ID:

334461

PubChem CID:

127253013

Reduced:

N5O7C37H43 (1)

Stoich.:

A5B7C37D43 (1)

Weight, g/mol:

452.135029

ΔHf, kcal/mol:

-100.03

Dipole, Da:

10.8

IP(EA), eV:

 -8.37(-1.08)

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-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NCCC1=NC(=NO1)C2=CC=CC=C2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations