Geometry & MOs

Info

ID:	63468
PubChem CID:	26758413
Reduced:	F2O3N5C18H19 (1)
Stoich.:	A2B3C5D18E19 (1)
Weight, g/mol:	349.112564
ΔH_f, kcal/mol:	-157.71
Dipole, Da:	4.59
IP(EA), eV:	-9.18(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)CNC(=O)C3=CC(=CC=C3)OC(F)F

DOS

IR

Vibrations