Geometry & MOs

Info

ID:	63490
PubChem CID:	26758477
Reduced:	ClNF2O4H16C18 (1)
Stoich.:	ABC2D4E16F18 (1)
Weight, g/mol:	383.073592
ΔH_f, kcal/mol:	-234.47
Dipole, Da:	5.25
IP(EA), eV:	-8.52(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@@H](C)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations