Geometry & MOs

Info

ID:	302816
PubChem CID:	124396714
Reduced:	O2S2N6C19H22 (1)
Stoich.:	A2B2C6D19E22 (1)
Weight, g/mol:	332.307916
ΔH_f, kcal/mol:	9.48
Dipole, Da:	6.8
IP(EA), eV:	-9.26(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-8-[(1R,2R,4aR,8aR)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]-6-methyloct-5-en-2-one

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=NC=CS2)[C@@H](C)NC(=O)C3=CC=CC=C3C

DOS

IR

Vibrations