Geometry & MOs

Info

ID:	64376
PubChem CID:	29199388
Reduced:	ClSN2O4C16H17 (1)
Stoich.:	ABC2D4E16F17 (1)
Weight, g/mol:	469.214761
ΔH_f, kcal/mol:	-78.44
Dipole, Da:	6.99
IP(EA), eV:	-9.08(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(2R)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]sulfamoyl]-3-methylphenyl]acetamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)OC

DOS

IR

Vibrations