Geometry & MOs

Info

ID:	402123
PubChem CID:	135054496
Reduced:	O5C18H20 (1)
Stoich.:	A5B18C20 (1)
Weight, g/mol:	461.06603
ΔH_f, kcal/mol:	-164.73
Dipole, Da:	2.08
IP(EA), eV:	-8.5(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C2=CCC(C2)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations