Geometry & MOs

Info

ID:

297698

PubChem CID:

117626097

Reduced:

N3O5C40H51 (1)

Stoich.:

A3B5C40D51 (1)

Weight, g/mol:

849.632998

ΔHf, kcal/mol:

-154.93

Dipole, Da:

3.13

IP(EA), eV:

 -7.86(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-O-decyl 10-O-octyl 2-O-[2-(3-oxobutanoyloxy)ethyl] 3-methyl-15-(2-oxopyrrolidin-1-yl)heptadecane-2,6,10-tricarboxylate

Drug info:

PubChemData

Smile

CC1CCCOC2(CCN(CC2)C3=C(C(=CN4C3=CC(=N4)C5=CC=CC(=C5)C6=C(C=CC(=C6)C)OC1)C)[C@@H](C(=O)OC)OC(C)(C)C)C

DOS

IR

Vibrations