Geometry & MOs

Info

ID:	307410
PubChem CID:	125299829
Reduced:	ClSO2N5H16C20 (1)
Stoich.:	ABC2D5E16F20 (1)
Weight, g/mol:	418.14749
ΔH_f, kcal/mol:	27.94
Dipole, Da:	8.33
IP(EA), eV:	-9.45(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-fluorophenyl)-3H-pyrrol-2-yl]-[4-[(1-methyl-4,5-dihydroimidazol-2-yl)sulfonyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1C(=NC(=O)NC1=O)CC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=CC=C4

DOS

IR

Vibrations