Geometry & MOs

Info

ID:	64379
PubChem CID:	29199396
Reduced:	BrSN2O4C16H17 (1)
Stoich.:	ABC2D4E16F17 (1)
Weight, g/mol:	483.230411
ΔH_f, kcal/mol:	-71.97
Dipole, Da:	7.12
IP(EA), eV:	-8.88(-1.33)
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]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations