Geometry & MOs

Info

ID:	390650
PubChem CID:	135000162
Reduced:	NSO2C19H31 (1)
Stoich.:	ABC2D19E31 (1)
Weight, g/mol:	553.09224
ΔH_f, kcal/mol:	-99.42
Dipole, Da:	1.74
IP(EA), eV:	-8.36(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(4-bromophenyl)-1,1,4,5-tetramethyl-8-(4-methylphenyl)sulfonyl-7,9-dihydropyrano[3,4-e]isoindol-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]([C@@H](C2CCCCC2)O)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations