Geometry & MOs

Info

ID:	195728
PubChem CID:	78728947
Reduced:	ClNF2O4H18C20 (1)
Stoich.:	ABC2D4E18F20 (1)
Weight, g/mol:	403.09687
ΔH_f, kcal/mol:	-232.98
Dipole, Da:	3.98
IP(EA), eV:	-10.04(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(carbamoylamino)-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)F)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations