Geometry & MOs

Info

ID:	64171
PubChem CID:	29197690
Reduced:	NO3C13H15 (2)
Stoich.:	AB3C13D15 (2)
Weight, g/mol:	454.203862
ΔH_f, kcal/mol:	-192.21
Dipole, Da:	4.21
IP(EA), eV:	-8.56(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(2R)-2-(1H-indol-3-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations