Geometry & MOs

Info

ID:	142627
PubChem CID:	53069089
Reduced:	SN3O4C14H23 (1)
Stoich.:	AB3C4D14E23 (1)
Weight, g/mol:	407.151492
ΔH_f, kcal/mol:	-159.58
Dipole, Da:	5.07
IP(EA), eV:	-8.41(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)S(=O)(=O)C2=C(N(C(=C2)C(=O)OC)C)C

DOS

IR

Vibrations