Geometry & MOs

Info

ID:	168203
PubChem CID:	74936685
Reduced:	KNS2O4C14H14 (1)
Stoich.:	ABC2D4E14F14 (1)
Weight, g/mol:	430.258006
ΔH_f, kcal/mol:	-148.3
Dipole, Da:	11.45
IP(EA), eV:	-8.61(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethylamino)-N-[1-[3-hydroxy-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]propanamide

Drug info:

PubChemData

Smile

CCSC(=NOS(=O)(=O)[O-])CC1=CC=CC2=CC=CC=C21.[K+]

DOS

IR

Vibrations