Geometry & MOs

Info

ID:

411198

PubChem CID:

135084011

Reduced:

N4O5C56H76 (1)

Stoich.:

A4B5C56D76 (1)

Weight, g/mol:

974.382491

ΔHf, kcal/mol:

-163.31

Dipole, Da:

6.78

IP(EA), eV:

 -7.77(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R,2R)-2-[[2-bis[4-[3-(2-methoxyethoxymethoxy)prop-1-ynyl]phenyl]phosphanylbenzoyl]amino]cyclohexyl]-2-diphenylphosphanylbenzamide

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)C(=O)[C@@H]5C(=O)OC)CCC(=O)OCC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C)C=C)C

DOS

IR

Vibrations