Geometry & MOs

Info

ID:

215216

PubChem CID:

85084377

Reduced:

SN2O10C41H48 (1)

Stoich.:

AB2C10D41E48 (1)

Weight, g/mol:

760.441115

ΔHf, kcal/mol:

-326.52

Dipole, Da:

5.29

IP(EA), eV:

 -8.87(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-butyl-3-hydroxy-5-phenyl-4-[[2-[4-[2-(2-phenylethoxy)ethyl]-1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperazin-2-yl]acetyl]amino]pentanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2C(C(C(C(O2)NC(=S)NC3C(C(C(C(C3O)O)O)O)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations