Geometry & MOs

Info

ID:

334313

PubChem CID:

127252865

Reduced:

SN5O7C29H33 (1)

Stoich.:

AB5C7D29E33 (1)

Weight, g/mol:

510.155764

ΔHf, kcal/mol:

-152.64

Dipole, Da:

14.52

IP(EA), eV:

 -8.88(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=NC(=CS1)CC(=O)N)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations