Geometry & MOs

Info

ID:	402119
PubChem CID:	135054483
Reduced:	O3C17H26 (1)
Stoich.:	A3B17C26 (1)
Weight, g/mol:	383.155515
ΔH_f, kcal/mol:	-134.34
Dipole, Da:	2.2
IP(EA), eV:	-9.06(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6S)-4,4-dimethyl-2-(4-methylphenyl)sulfonyl-6-phenyl-1,3,3a,6-tetrahydropyrano[3,4-c]pyrrole

Drug info:

PubChemData

Smile

CC(=CCC[C@](C)(C=C)[C@@]1(CCCC1=O)C(=O)OC)C

DOS

IR

Vibrations