Geometry & MOs

Info

ID:

219976

PubChem CID:

85165105

Reduced:

NO8C37H39 (1)

Stoich.:

AB8C37D39 (1)

Weight, g/mol:

625.29993

ΔHf, kcal/mol:

-216.14

Dipole, Da:

6.87

IP(EA), eV:

 -9.28(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxo-1-[2-(phenylmethoxycarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoyl]piperazin-2-yl]acetate

Drug info:

PubChemData

Smile

COC(=O)C(=O)NC1C(C(C(C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations