Geometry & MOs

Info

ID:	160179
PubChem CID:	57304925
Reduced:	ClC10H11 (1)
Stoich.:	AB10C11 (1)
Weight, g/mol:	522.141201
ΔH_f, kcal/mol:	69.26
Dipole, Da:	2.09
IP(EA), eV:	-9.31(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,6-dimethyl-5H-cyclopenta[b]pyran-7-yl) N-[benzyl-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)amino]sulfanyl-N-methylcarbamate

Drug info:

PubChemData

Smile

C1CC1C#CC=C(C2CC2)Cl

DOS

IR

Vibrations