Geometry & MOs

Info

ID:	373785
PubChem CID:	131320064
Reduced:	BrN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	304.98182
ΔH_f, kcal/mol:	-81.09
Dipole, Da:	2.58
IP(EA), eV:	-8.18(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-3-(3-bromo-2-chlorophenyl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)([C@@H](C1=C(C=C(C=C1)N)Br)N)C(=O)O

DOS

IR

Vibrations