Geometry & MOs

Info

ID:	217659
PubChem CID:	85088177
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	386.24571
ΔH_f, kcal/mol:	-68.17
Dipole, Da:	4.46
IP(EA), eV:	-8.18(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[2-[1,2,5-trimethyl-5-(3-methylbut-3-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]acetyl]-2H-furan-5-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC=C1C(NNC(N1)SCC)C)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations