Geometry & MOs

Info

ID:	395811
PubChem CID:	135026632
Reduced:	NSiS2O6C39H63 (1)
Stoich.:	ABC2D6E39F63 (1)
Weight, g/mol:	264.151415
ΔH_f, kcal/mol:	-292.09
Dipole, Da:	8.76
IP(EA), eV:	-8.28(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-benzyl-6,7-dimethyl-1,2-dihydronaphthalen-1-ol

Drug info:

PubChemData

Smile

C[C@H]([C@H](/C(=C/CCC[C@H](/C(=C/C=C/[C@H]([C@@H](C1=CC=CC=C1)O[Si](C)(C)C(C)(C)C)OCOC)/C)OC)/C)O)C(=O)N2[C@H](CSC2=S)C(C)C

DOS

IR

Vibrations