Geometry & MOs

Info

ID:	374927
PubChem CID:	131407126
Reduced:	BrNSO2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	285.03644
ΔH_f, kcal/mol:	-36.02
Dipole, Da:	5.04
IP(EA), eV:	-8.52(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-3-(3-bromo-5-methylphenyl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C2C=CSC2=C1Br)N

DOS

IR

Vibrations