Geometry & MOs

Info

ID:

219938

PubChem CID:

85165066

Reduced:

F2O4N5C34H39 (1)

Stoich.:

A2B4C5D34E39 (1)

Weight, g/mol:

619.314517

ΔHf, kcal/mol:

-220.34

Dipole, Da:

5.11

IP(EA), eV:

 -8.62(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-benzyl 1-O-[3-(6-hydroxy-2,4-dimethyl-3-phenylmethoxyphenyl)-3-methylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CC(=C(C=C4)F)F)CN

DOS

IR

Vibrations