Geometry & MOs

Info

ID:	295113
PubChem CID:	117517656
Reduced:	BrClSO3H10C12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	349.03136
ΔH_f, kcal/mol:	-86.27
Dipole, Da:	5.4
IP(EA), eV:	-9.01(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(3-bromo-5-methyl-4-phenylmethoxyphenyl)acetic acid

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C=C(C=C2)Br)CS(=O)(=O)Cl

DOS

IR

Vibrations