Geometry & MOs

Info

ID:	287934
PubChem CID:	104300713
Reduced:	ClN3O3H10C13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	309.022642
ΔH_f, kcal/mol:	-67.0
Dipole, Da:	1.79
IP(EA), eV:	-9.81(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=NC=CN=C2C(=O)O)Cl

DOS

IR

Vibrations