Geometry & MOs

Info

ID:	410488
PubChem CID:	135083286
Reduced:	Br2N2O2C17H22 (1)
Stoich.:	A2B2C2D17E22 (1)
Weight, g/mol:	393.233765
ΔH_f, kcal/mol:	-67.47
Dipole, Da:	5.77
IP(EA), eV:	-8.72(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-2,4-ditert-butyl-6-[(4R)-4-(tert-butylsulfinylmethyl)-1,3-oxazolidin-2-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCCCC1)N/C=C\2/C=C(C=C(C2=O)Br)Br

DOS

IR

Vibrations