Geometry & MOs

Info

ID:	406059
PubChem CID:	135076436
Reduced:	MoOSC6H6 (1)
Stoich.:	ABCD6E6 (1)
Weight, g/mol:	664.23995
ΔH_f, kcal/mol:	145.66
Dipole, Da:	5.7
IP(EA), eV:	-6.5(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-methoxy-4-methyl-3,3-bis(3-methylbut-2-enyl)-2-oxocyclohexanecarbonyl]-3-(2-methylprop-2-enoxy)phenyl]methyl 4-bromobenzoate

Drug info:

PubChemData

Smile

COC(=[Mo])C1=CC=CS1

DOS

IR

Vibrations