Geometry & MOs

Info

ID:	158629
PubChem CID:	56464344
Reduced:	ClSO2N4C21H27 (1)
Stoich.:	ABC2D4E21F27 (1)
Weight, g/mol:	477.186832
ΔH_f, kcal/mol:	-62.15
Dipole, Da:	2.08
IP(EA), eV:	-8.75(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations