Geometry & MOs

Info

ID:	16213
PubChem CID:	461745
Reduced:	ClNSO3C20H24 (1)
Stoich.:	ABCD3E20F24 (1)
Weight, g/mol:	393.116542
ΔH_f, kcal/mol:	-122.76
Dipole, Da:	6.06
IP(EA), eV:	-8.96(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethylpentan-3-yl 2-chloro-5-[(2-methylthiophene-3-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CS1)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC(C(C)C)C(C)C

DOS

IR

Vibrations