Geometry & MOs

Info

ID:	310710
PubChem CID:	126584483
Reduced:	FSN4O6C26H27 (1)
Stoich.:	ABC4D6E26F27 (1)
Weight, g/mol:	203.115758
ΔH_f, kcal/mol:	-163.81
Dipole, Da:	7.31
IP(EA), eV:	-8.71(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-carboxypropyl(methyl)amino]butanoic acid

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C1=CC=C(C=C1)F)O)S(=O)(=O)NC2=NN=C(N2C3=C(C=CC=C3OC)OC)C4=CC(=CC=C4)OC

DOS

IR

Vibrations