Geometry & MOs

Info

ID:

220066

PubChem CID:

85165203

Reduced:

O3C21H22 (2)

Stoich.:

A3B21C22 (2)

Weight, g/mol:

644.357385

ΔHf, kcal/mol:

-115.52

Dipole, Da:

4.31

IP(EA), eV:

 -8.95(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-[2-benzyl-4-(1-hydroxy-3-phenylpropan-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC2CC(C(C(C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations