Geometry & MOs

Info

ID:	393457
PubChem CID:	135020632
Reduced:	SO3C19H26 (1)
Stoich.:	AB3C19D26 (1)
Weight, g/mol:	361.155909
ΔH_f, kcal/mol:	-151.72
Dipole, Da:	2.82
IP(EA), eV:	-8.6(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-2-methyl-N-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methylidene]propane-2-sulfinamide

Drug info:

PubChemData

Smile

CC1(CC(C2=C(S1)C=CC(=C2)/C=C/C(=O)OC(C)(C)C)(C)O)C

DOS

IR

Vibrations