Geometry & MOs

Info

ID:	63974
PubChem CID:	26759597
Reduced:	ClNO4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	435.182792
ΔH_f, kcal/mol:	-145.18
Dipole, Da:	2.28
IP(EA), eV:	-8.86(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)[C@@H](C)OC(=O)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations