Geometry & MOs

Info

ID:	46139
PubChem CID:	10522376
Reduced:	N2O3H18C22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	358.160266
ΔH_f, kcal/mol:	6.8
Dipole, Da:	10.63
IP(EA), eV:	-7.6(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aR,8S,8aS)-4-hydroxy-2,8,8a-trimethyl-4-[[(R)-(4-methylphenyl)sulfinyl]methyl]-5,8-dihydro-4aH-naphthalen-1-one

Drug info:

PubChemData

Smile

COC1=CC=C/C(=C/2\C3=C(C4=CC=CC=C4CC3)NC(=C2C#N)OC)/C1=O

DOS

IR

Vibrations