Geometry & MOs

Info

ID:	46951
PubChem CID:	10528617
Reduced:	BrSO3C24H29 (1)
Stoich.:	ABC3D24E29 (1)
Weight, g/mol:	476.100651
ΔH_f, kcal/mol:	-110.71
Dipole, Da:	5.19
IP(EA), eV:	-9.2(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C(=O)O[C@@H](O1)C(C)(C)C)[C@@H](CCC2=CC=CC=C2)SC3=CC=CC=C3Br

DOS

IR

Vibrations