Geometry & MOs

Info

ID:	148299
PubChem CID:	53787961
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	641.319997
ΔH_f, kcal/mol:	-92.27
Dipole, Da:	1.5
IP(EA), eV:	-9.22(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 7-[5-(1,3-dioxan-5-ylmethoxyimino)-2-methyl-8-(2-methylbutanoyloxy)-3-oxo-1,2,4,6,7,8-hexahydronaphthalen-1-yl]-3-hydroxy-5-oxoheptanoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)CCC(=O)OC

DOS

IR

Vibrations