Geometry & MOs

Info

ID:	349183
PubChem CID:	127274909
Reduced:	SN4O4C18H22 (1)
Stoich.:	AB4C4D18E22 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	-144.62
Dipole, Da:	3.71
IP(EA), eV:	-8.96(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)CN3C(=O)CN(C3=O)C

DOS

IR

Vibrations