Geometry & MOs

Info

ID:	195732
PubChem CID:	78729006
Reduced:	ClFNO3H15C16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	352.145678
ΔH_f, kcal/mol:	-136.46
Dipole, Da:	2.47
IP(EA), eV:	-8.87(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(carbamoylamino)-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)OC)OC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations