Geometry & MOs

Info

ID:	17024
PubChem CID:	482393
Reduced:	SO2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	341.119798
ΔH_f, kcal/mol:	-18.91
Dipole, Da:	3.63
IP(EA), eV:	-9.1(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-benzyl-3-methylsulfanyl-4-oxo-N-(pyridin-4-ylmethyl)azetidine-1-carboxamide

Drug info:

PubChemData

Smile

CS[C@@H]1[C@H](N(C1=O)C(=O)NCC2=CC=NC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations