Geometry & MOs

Info

ID:	137917
PubChem CID:	52283735
Reduced:	SN4O4C22H31 (1)
Stoich.:	AB4C4D22E31 (1)
Weight, g/mol:	373.216555
ΔH_f, kcal/mol:	-114.22
Dipole, Da:	5.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.966946
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-cyclohexyl-N-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCCCCC3)OC

DOS

IR

Vibrations