Geometry & MOs

Info

ID:	161139
PubChem CID:	57390867
Reduced:	SO3N4C24H36 (1)
Stoich.:	AB3C4D24E36 (1)
Weight, g/mol:	344.152478
ΔH_f, kcal/mol:	-125.32
Dipole, Da:	7.13
IP(EA), eV:	-9.05(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-benzyl-4-(4-cyanophenyl)-2,5-dimethylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NN2C3CCCCC3)C)C(=O)N[C@@H](C)C(C)(C)C

DOS

IR

Vibrations