Geometry & MOs

Info

ID:	372837
PubChem CID:	131305801
Reduced:	NSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	304.98182
ΔH_f, kcal/mol:	-20.27
Dipole, Da:	9.91
IP(EA), eV:	-9.28(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-3-(4-bromo-2-chlorophenyl)-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC2=C1C=CS2)[N+](=O)[O-])C=O

DOS

IR

Vibrations