Geometry & MOs

Info

ID:	43701
PubChem CID:	10321666
Reduced:	FSN3O4H20C23 (1)
Stoich.:	ABC3D4E20F23 (1)
Weight, g/mol:	453.168856
ΔH_f, kcal/mol:	-117.42
Dipole, Da:	7.98
IP(EA), eV:	-8.39(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2-[[4-(2-phenylmethoxypyrimidin-5-yl)benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CC2=CN(C3=C2C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)CCC(=O)O

DOS

IR

Vibrations