Geometry & MOs

Info

ID:	404436
PubChem CID:	135066293
Reduced:	BrSN2O6H19C22 (1)
Stoich.:	ABC2D6E19F22 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-98.11
Dipole, Da:	10.83
IP(EA), eV:	-10.06(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-5,5-dimethyl-2-phenylhexanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)Br

DOS

IR

Vibrations