Geometry & MOs

Info

ID:	16917
PubChem CID:	479663
Reduced:	SO2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	-5.53
Dipole, Da:	1.69
IP(EA), eV:	-9.07(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1-[(2S)-2-phenylpyrrolidine-1-carbonyl]-4-(pyrimidin-2-ylsulfanylmethyl)azetidin-2-one

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)N2[C@H](CC2=O)CSC3=NC=CC=N3)C4=CC=CC=C4

DOS

IR

Vibrations