Geometry & MOs

Info

ID:

188764

PubChem CID:

77762875

Reduced:

N2C15H20 (1)

Stoich.:

A2B15C20 (1)

Weight, g/mol:

823.352753

ΔHf, kcal/mol:

18.45

Dipole, Da:

4.15

IP(EA), eV:

 -8.04(0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[4-[[3-[4-[[3-ethoxy-2-(3-hydroxy-4-methoxyphenyl)-3-oxopropyl]-(2-ethoxy-2-oxoacetyl)amino]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butoxy]-6-hydroxybenzoate

Drug info:

PubChemData

Smile

C1CCC2C(C1)CNC(=CC3=CC=CC=C3)N2

DOS

IR

Vibrations