Geometry & MOs

Info

ID:	213399
PubChem CID:	81063608
Reduced:	ClFNSO3H13C14 (1)
Stoich.:	ABCDE3F13G14 (1)
Weight, g/mol:	303.092915
ΔH_f, kcal/mol:	-157.62
Dipole, Da:	3.84
IP(EA), eV:	-9.18(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(3-phenylthiophene-2-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl

DOS

IR

Vibrations