Geometry & MOs

Info

ID:	138977
PubChem CID:	52453451
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	370.19308
ΔH_f, kcal/mol:	-83.22
Dipole, Da:	8.5
IP(EA), eV:	-9.36(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-[[(3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCN(CC1)C(=O)C(C)C)SC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations