Geometry & MOs

Info

ID:

319434

PubChem CID:

126656014

Reduced:

NPSH30C39 (1)

Stoich.:

ABCD30E39 (1)

Weight, g/mol:

577.174156

ΔHf, kcal/mol:

102.47

Dipole, Da:

6.05

IP(EA), eV:

 -8.07(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)pyrimidin-5-yl]-diphenyl-sulfanylidene-lambda5-phosphane

Drug info:

PubChemData

Smile

CC1(C2=CC=CC3=C2N(C4=C1C=C(C=C4)C5=CC=C(C=C5)P(=S)(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C38)C

DOS

IR

Vibrations