Geometry & MOs

Info

ID:

219690

PubChem CID:

85164530

Reduced:

O6N7C28H29 (1)

Stoich.:

A6B7C28D29 (1)

Weight, g/mol:

559.151217

ΔHf, kcal/mol:

-177.65

Dipole, Da:

9.14

IP(EA), eV:

 -8.02(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[3-(benzenesulfonyl)-1-[(4-methoxyphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C(CCC(=O)NC1=CC=C(C=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)CCC3=CNC4=NC(=NC(=C34)N)N

DOS

IR

Vibrations