Geometry & MOs

Info

ID:	209256
PubChem CID:	80644594
Reduced:	ClOSN2H7C12 (1)
Stoich.:	ABCD2E7F12 (1)
Weight, g/mol:	295.006992
ΔH_f, kcal/mol:	56.13
Dipole, Da:	5.83
IP(EA), eV:	-9.74(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(3-chlorothiophene-2-carbonyl)amino]phenyl]acetic acid

Drug info:

PubChemData

Smile

C1=CN=CC=C1C(C#N)C(=O)C2=C(C=CS2)Cl

DOS

IR

Vibrations