Geometry & MOs

Info

ID:	282711
PubChem CID:	103936839
Reduced:	ClFN2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	360.148535
ΔH_f, kcal/mol:	-14.36
Dipole, Da:	1.88
IP(EA), eV:	-9.15(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethyl(phenylmethoxycarbonyl)amino]-2-(5-fluoropyridin-2-yl)butanoic acid

Drug info:

PubChemData

Smile

CCC(C1=NC=C(C=C1)F)N[C@@H](C)C2=CC=CC=C2Cl

DOS

IR

Vibrations