Geometry & MOs

Info

ID:	319425
PubChem CID:	126655973
Reduced:	OC9H12 (1)
Stoich.:	AB9C12 (1)
Weight, g/mol:	567.099277
ΔH_f, kcal/mol:	-26.26
Dipole, Da:	3.14
IP(EA), eV:	-9.64(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diphenyl-sulfanylidene-[2-(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)pyrimidin-5-yl]-lambda5-phosphane

Drug info:

PubChemData

Smile

CC12CCC(C1)C(=C)C2=O

DOS

IR

Vibrations