Geometry & MOs

Info

ID:	52368
PubChem CID:	12015210
Reduced:	SBr3O3H13C15 (1)
Stoich.:	AB3C3D13E15 (1)
Weight, g/mol:	377.129694
ΔH_f, kcal/mol:	-88.2
Dipole, Da:	6.23
IP(EA), eV:	-9.36(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4,6-trimethylphenyl) 3-tert-butyl-5-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=C(C=C(C=C2Br)Br)Br)C

DOS

IR

Vibrations