Geometry & MOs

Info

ID:

319427

PubChem CID:

126655992

Reduced:

PS2N3H26C40 (1)

Stoich.:

AB2C3D26E40 (1)

Weight, g/mol:

565.108779

ΔHf, kcal/mol:

167.88

Dipole, Da:

4.16

IP(EA), eV:

 -7.92(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diphenyl-sulfanylidene-[4-(13-thia-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)phenyl]-lambda5-phosphane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CN=C(N=C4)C5=CC6=C(C=C5)N7C8=CC=CC=C8C9=C7C(=CC=C9)S6

DOS

IR

Vibrations