Geometry & MOs

Info

ID:	244232
PubChem CID:	99319517
Reduced:	SN3O5C23H35 (1)
Stoich.:	AB3C5D23E35 (1)
Weight, g/mol:	363.19582
ΔH_f, kcal/mol:	-224.09
Dipole, Da:	2.44
IP(EA), eV:	-9.36(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N[C@@H]1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N[C@@H]3CCCC[C@@H]3C

DOS

IR

Vibrations