Geometry & MOs

Info

ID:	63112
PubChem CID:	26744288
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	433.190952
ΔH_f, kcal/mol:	-63.1
Dipole, Da:	7.25
IP(EA), eV:	-9.69(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-benzylpiperazin-4-ium-1-yl)-(1-methyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)CN2C[C@@H](C[C@H]2C3=NC(=NO3)C4CC4)O

DOS

IR

Vibrations