Geometry & MOs

Info

ID:	396816
PubChem CID:	135029272
Reduced:	NSO2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	260.075487
ΔH_f, kcal/mol:	-52.06
Dipole, Da:	6.93
IP(EA), eV:	-8.24(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-2-phosphatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13),10-hexaene

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)/C=C/CN2CCCCCC2=S

DOS

IR

Vibrations