Geometry & MOs

Info

ID:	64380
PubChem CID:	29199402
Reduced:	SO3N5C25H33 (1)
Stoich.:	AB3C5D25E33 (1)
Weight, g/mol:	483.230411
ΔH_f, kcal/mol:	-72.98
Dipole, Da:	6.68
IP(EA), eV:	-8.43(-0.43)
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]-2,6-dimethylphenyl]acetamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)N4CCN(CC4)C)C

DOS

IR

Vibrations