Geometry & MOs

Info

ID:

323128

PubChem CID:

126672749

Reduced:

NPS2H26C40 (1)

Stoich.:

ABC2D26E40 (1)

Weight, g/mol:

615.124429

ΔHf, kcal/mol:

137.72

Dipole, Da:

6.16

IP(EA), eV:

 -7.89(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diphenyl-sulfanylidene-[5-(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)naphthalen-1-yl]-lambda5-phosphane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)C3=CC4=C(C=C3)C=C(C=C4)C5=CC6=C(C=C5)N7C8=CC=CC=C8C9=C7C(=CC=C9)S6

DOS

IR

Vibrations