Geometry & MOs

Info

ID:	51459
PubChem CID:	12014129
Reduced:	NSO5C28H29 (1)
Stoich.:	ABC5D28E29 (1)
Weight, g/mol:	293.95777
ΔH_f, kcal/mol:	-105.9
Dipole, Da:	6.01
IP(EA), eV:	-9.46(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3,5-bis(chloromethyl)-2,4,6-trimethylbenzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)COC(=O)[C@@H](C)[C@@H](C#CC3=CC=CC=C3)O

DOS

IR

Vibrations