Geometry & MOs

Info

ID:	72391
PubChem CID:	48416122
Reduced:	FNO4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	392.140593
ΔH_f, kcal/mol:	-197.32
Dipole, Da:	1.06
IP(EA), eV:	-8.67(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CCC2=CC=CC=C2F)C(=O)OC

DOS

IR

Vibrations