Geometry & MOs

Info

ID:	15498
PubChem CID:	442720
Reduced:	O6C21H22 (1)
Stoich.:	A6B21C22 (1)
Weight, g/mol:	370.141638
ΔH_f, kcal/mol:	-206.15
Dipole, Da:	3.9
IP(EA), eV:	-9.06(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate

Drug info:

PubChemData

Smile

CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C=C(C)C)C

DOS

IR

Vibrations