Geometry & MOs

Info

ID:

394137

PubChem CID:

135022407

Reduced:

N3O7C29H33 (1)

Stoich.:

A3B7C29D33 (1)

Weight, g/mol:

689.240701

ΔHf, kcal/mol:

-226.21

Dipole, Da:

0.98

IP(EA), eV:

 -8.56(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[[2-(methoxymethoxy)-3-[2-(methoxymethoxy)-3-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COCOC1=C(C=CC=C1N)C2=C(C(=CC=C2)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4)OCOC

DOS

IR

Vibrations