Geometry & MOs

Info

ID:	62537
PubChem CID:	26719846
Reduced:	ClSO2N3H16C18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	334.10842
ΔH_f, kcal/mol:	-51.73
Dipole, Da:	8.02
IP(EA), eV:	-8.67(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C4CCCN4C3=O)C)Cl

DOS

IR

Vibrations