Geometry & MOs

Info

ID:	395100
PubChem CID:	135024657
Reduced:	PO2S2H11C16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	407.90432
ΔH_f, kcal/mol:	-13.19
Dipole, Da:	6.83
IP(EA), eV:	-9.36(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(10-bromo-7-oxo-7-phenyl-3,11-dithia-7lambda5-phosphatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(S1)C3=C(P2(=O)C4=CC=CC=C4)C=CS3

DOS

IR

Vibrations