Geometry & MOs

Info

ID:

220010

PubChem CID:

85165140

Reduced:

SN3O8C33H33 (1)

Stoich.:

AB3C8D33E33 (1)

Weight, g/mol:

631.325751

ΔHf, kcal/mol:

-230.29

Dipole, Da:

4.04

IP(EA), eV:

 -8.37(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-phenylacetyl) 8-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]amino]octanoate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(N(CCC2=C1)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4NS(=O)(=O)NC(=O)OCC5=CC=CC=C5)OC

DOS

IR

Vibrations