Geometry & MOs

Info

ID:

441401

PubChem CID:

135234526

Reduced:

NSC7H15 (1)

Stoich.:

ABC7D15 (1)

Weight, g/mol:

834.360299

ΔHf, kcal/mol:

-6.73

Dipole, Da:

3.26

IP(EA), eV:

-8.39(0.45)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

21-[4-[3,3-dimethyl-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)hexan-2-yl]phenyl]-19-(3-methylpentan-3-yl)-13,22-dioxa-1lambda5-phosphapentacyclo[10.9.2.114,18.02,7.08,23]tetracosa-2,4,6,8(23),9,11,14,16,18(24)-nonaene 1-oxide

Drug info:

PubChemData

Smile

C/C=C(/C(C)C)\SCN

DOS

IR

Vibrations