Geometry & MOs

Info

ID:	62510
PubChem CID:	26719819
Reduced:	OSCl2N2H10C13 (1)
Stoich.:	ABC2D2E10F13 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	6.62
Dipole, Da:	4.04
IP(EA), eV:	-8.66(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-4-methyl-5-[(3-methylsulfanylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)C2=CC(=NC(=C2)Cl)Cl

DOS

IR

Vibrations