Geometry & MOs

Info

ID:	392763
PubChem CID:	135017884
Reduced:	BrO4C8H15 (1)
Stoich.:	AB4C8D15 (1)
Weight, g/mol:	439.145344
ΔH_f, kcal/mol:	-201.74
Dipole, Da:	1.62
IP(EA), eV:	-10.23(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,14,14-trimethyl-4-(4-methylphenyl)sulfonyl-13,15-dioxa-4-azapentacyclo[9.5.1.02,10.03,7.012,16]heptadeca-2,5,7,9-tetraen-9-ol

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@H]([C@@H](CBr)O)O)C

DOS

IR

Vibrations