Geometry & MOs

Info

ID:

425898

PubChem CID:

135129482

Reduced:

N4O8C38H57 (2)

Stoich.:

A4B8C38D57 (2)

Weight, g/mol:

512.228753

ΔHf, kcal/mol:

-699.29

Dipole, Da:

14.32

IP(EA), eV:

 -9.14(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

bis[2-[2-[bis(prop-2-enyl)carbamoyl]prop-2-enoxy]ethyl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)CCCC(=O)N(C)CCOCCOCCOCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C(/C=C\C5=CC=CC=C53)C

DOS

IR

Vibrations