Geometry & MOs

Info

ID:	186931
PubChem CID:	77506583
Reduced:	FSCl2N5O9C29H34 (1)
Stoich.:	ABC2D5E9F29G34 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-422.37
Dipole, Da:	9.23
IP(EA), eV:	-9.6(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylamino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1COCC(=O)N1C2=CC(=C(C=C2)N3CC(OC3=O)CN(C(=O)CCCCNC(CCC(=O)O)C(=O)N)C(=O)C4=CC=C(S4)Cl)F.Cl

DOS

IR

Vibrations