Geometry & MOs

Info

ID:	380947
PubChem CID:	134971555
Reduced:	O5C8H14 (1)
Stoich.:	A5B8C14 (1)
Weight, g/mol:	400.282489
ΔH_f, kcal/mol:	-238.84
Dipole, Da:	3.93
IP(EA), eV:	-10.37(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,7S,8S,9S,10R)-11-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7,8-dihydroxy-2,3,10-trimethyl-9-propan-2-yloxyundec-1-en-5-one

Drug info:

PubChemData

Smile

CC1C(C(C(CO1)O)O)OC(=O)C

DOS

IR

Vibrations