Geometry & MOs

Info

ID:	355142
PubChem CID:	127288074
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	-126.24
Dipole, Da:	2.58
IP(EA), eV:	-9.53(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCC(CC2)NC(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations