Geometry & MOs

Info

ID:	195271
PubChem CID:	78667399
Reduced:	ClSN2O6C12H15 (1)
Stoich.:	ABC2D6E12F15 (1)
Weight, g/mol:	428.254932
ΔH_f, kcal/mol:	-199.29
Dipole, Da:	4.91
IP(EA), eV:	-10.17(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 5-[2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)N)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)OC)Cl

DOS

IR

Vibrations