Geometry & MOs

Info

ID:	63489
PubChem CID:	26758475
Reduced:	BrNF2O3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	383.073592
ΔH_f, kcal/mol:	-187.71
Dipole, Da:	2.99
IP(EA), eV:	-8.86(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=C(C=C(C=C2)F)F)Br

DOS

IR

Vibrations