Geometry & MOs

Info

ID:	22458
PubChem CID:	597267
Reduced:	ClNSO3C10H12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	261.022642
ΔH_f, kcal/mol:	-123.6
Dipole, Da:	2.4
IP(EA), eV:	-8.87(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-chloropropanoylamino)-4-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=C1NC(=O)C(C)Cl)C(=O)OC

DOS

IR

Vibrations