Geometry & MOs

Info

ID:	158634
PubChem CID:	56464351
Reduced:	OSN4C25H32 (1)
Stoich.:	ABC4D25E32 (1)
Weight, g/mol:	419.199111
ΔH_f, kcal/mol:	20.39
Dipole, Da:	4.53
IP(EA), eV:	-8.53(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-4-(methylsulfamoyl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)NC(CN3CCN(CC3)C)C4=CC=CC=C4

DOS

IR

Vibrations