Geometry & MOs

Info

ID:

319428

PubChem CID:

126655995

Reduced:

NPS2H24C36 (1)

Stoich.:

ABC2D24E36 (1)

Weight, g/mol:

627.153421

ΔHf, kcal/mol:

121.49

Dipole, Da:

6.67

IP(EA), eV:

 -7.9(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-(13-oxa-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]phenyl]-diphenyl-sulfanylidene-lambda5-phosphane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)N6C7=CC=CC=C7C8=C6C(=CC=C8)S5

DOS

IR

Vibrations