Geometry & MOs

Info

ID:	125745
PubChem CID:	50936708
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	461.129694
ΔH_f, kcal/mol:	-54.86
Dipole, Da:	2.11
IP(EA), eV:	-9.64(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 9-(4-methylphenyl)sulfonylfuro[2,3-b]carbazole-2-carboxylate

Drug info:

PubChemData

Smile

COCOCC#CC(C1=CC=CC=C1)O

DOS

IR

Vibrations