Geometry & MOs

Info

ID:

380917

PubChem CID:

134971516

Reduced:

O3C22H22 (1)

Stoich.:

A3B22C22 (1)

Weight, g/mol:

1195.3322

ΔHf, kcal/mol:

-50.02

Dipole, Da:

1.35

IP(EA), eV:

-8.56(-0.04)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

ethyl (2S,3S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-3-chloro-4-hydroxyphenyl]-2-[[(2R,5R)-5-[3,5-dibromo-4-(pyrrolidin-1-yldiazenyl)phenyl]-2-(4-methoxyphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoyl]amino]-3-tri(propan-2-yl)silyloxypropanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC3=C(C=C(C=C3)C)OC

DOS

IR

Vibrations