Geometry & MOs

Info

ID:	398144
PubChem CID:	135031978
Reduced:	BrNOSH10C14 (1)
Stoich.:	ABCDE10F14 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	62.08
Dipole, Da:	2.5
IP(EA), eV:	-9.1(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.01,6.09,13]pentadecan-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC(S2)C3=CC=CC=C3Br

DOS

IR

Vibrations