Geometry & MOs

Info

ID:	37945
PubChem CID:	8025759
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-62.32
Dipole, Da:	4.44
IP(EA), eV:	-8.28(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N[C@H](C)C(=O)N[C@H]2CCCC3=CC=CC=C23

DOS

IR

Vibrations