Geometry & MOs

Info

ID:

412135

PubChem CID:

135085009

Reduced:

N4O8C73H98 (1)

Stoich.:

A4B8C73D98 (1)

Weight, g/mol:

595.264016

ΔHf, kcal/mol:

-305.57

Dipole, Da:

3.05

IP(EA), eV:

 -8.06(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4,8,10-tetramethyl-N,N-bis[(1S)-1-naphthalen-1-ylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine

Drug info:

PubChemData

Smile

CC(C1=C/C(=C/N[C@H]2[C@@H](CCCC2)N/C=C/3\C(=O)C(=CC(=C3)OC(=O)[C@@H]4[C@@H]([C@@H]5C=C[C@H]4C5)C(=O)OC6=C/C(=C/N[C@H]7[C@@H](CCCC7)N/C=C/8\C(=O)C(=CC(=C8)C(C)(C)C)C(C)(C)C)/C(=O)C(=C6)C(C)(C)C)C(C)(C)C)/C(=O)C(=C1)C(C)(C)C)(C)C

DOS

IR

Vibrations