Geometry & MOs

Info

ID:	72414
PubChem CID:	48416150
Reduced:	ClFNO4C20H21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-193.46
Dipole, Da:	4.21
IP(EA), eV:	-8.89(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(2-methylsulfanylpyridine-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=C(C=C(C=C2)F)Cl)C(=O)OC

DOS

IR

Vibrations