Geometry & MOs

Info

ID:	137549
PubChem CID:	52226213
Reduced:	ClSN2O4C22H25 (1)
Stoich.:	ABC2D4E22F25 (1)
Weight, g/mol:	427.189592
ΔH_f, kcal/mol:	-138.04
Dipole, Da:	3.53
IP(EA), eV:	-8.9(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(furan-2-carbonyl)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC=C2NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NC[C@@H]4CCCO4

DOS

IR

Vibrations