Geometry & MOs

Info

ID:

394103

PubChem CID:

135022328

Reduced:

NO6C18H25 (1)

Stoich.:

AB6C18D25 (1)

Weight, g/mol:

670.31016

ΔHf, kcal/mol:

-248.12

Dipole, Da:

4.62

IP(EA), eV:

 -8.94(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-hydroxy-2-[2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-3-[[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-5-oxofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CCC(=O)C(=O)OC)CC1=CC=C(C=C1)OC

DOS

IR

Vibrations