Geometry & MOs

Info

ID:	63299
PubChem CID:	26750538
Reduced:	ClN2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	335.096914
ΔH_f, kcal/mol:	-115.97
Dipole, Da:	5.49
IP(EA), eV:	-9.14(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations