Geometry & MOs

Info

ID:	188666
PubChem CID:	77751393
Reduced:	SCl3N4O6H19C25 (1)
Stoich.:	AB3C4D6E19F25 (1)
Weight, g/mol:	414.251858
ΔH_f, kcal/mol:	-132.84
Dipole, Da:	8.01
IP(EA), eV:	-9.05(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-methylphenyl)propanoic acid;2-(dimethylamino)-2,3-dimethyl-3-phenylbutanoic acid

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CN=CN3)C(=O)O)COC4=C(C=CC(=C4)Cl)OC5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations