Geometry & MOs

Info

ID:

334509

PubChem CID:

127253184

Reduced:

N4O7C39H56 (1)

Stoich.:

A4B7C39D56 (1)

Weight, g/mol:

528.129943

ΔHf, kcal/mol:

-256.81

Dipole, Da:

6.93

IP(EA), eV:

 -8.13(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)N(CCCOC)C[C@@H]4CCCN5[C@@H]4CCCC5)OC)OC)OC

DOS

IR

Vibrations