Geometry & MOs

Info

ID:	62377
PubChem CID:	26719651
Reduced:	SCl2O3N4C19H20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	354.053798
ΔH_f, kcal/mol:	-86.17
Dipole, Da:	7.3
IP(EA), eV:	-8.93(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CCC(=O)NC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations