Geometry & MOs

Info

ID:

176744

PubChem CID:

76092268

Reduced:

N4O7C37H42 (1)

Stoich.:

A4B7C37D42 (1)

Weight, g/mol:

429.215138

ΔHf, kcal/mol:

-66.91

Dipole, Da:

6.37

IP(EA), eV:

 -8.83(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-[2-[2-isocyano-3-(4-methylphenyl)prop-2-enoyl]oxyethyl] 5-O-methyl 2-ethyl-2,4,4-trimethylpentanedioate

Drug info:

PubChemData

Smile

CCC(C)(CC(C)(C)C(=O)OC)C(=O)OCCOC(=O)C(=CC1=CC=C(C=C1)C)[N+]#[C-].CC1=CC(=C(C=C1)O)N2N3N2C4=CC=CC=C43

DOS

IR

Vibrations