Geometry & MOs

Info

ID:	33789
PubChem CID:	7888117
Reduced:	N2O2S2H18C19 (1)
Stoich.:	A2B2C2D18E19 (1)
Weight, g/mol:	374.184172
ΔH_f, kcal/mol:	-5.21
Dipole, Da:	2.79
IP(EA), eV:	-8.47(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations