Geometry & MOs

Info

ID:	307412
PubChem CID:	125299840
Reduced:	SO3N5H9C12 (1)
Stoich.:	AB3C5D9E12 (1)
Weight, g/mol:	395.159354
ΔH_f, kcal/mol:	85.36
Dipole, Da:	5.23
IP(EA), eV:	-10.25(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methoxyphenyl)ethyl]-3-[3-[(3S)-2-oxo-3H-pyridin-3-yl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CS[C@@H]2N=NC3=NC(=O)C=CN23)[N+](=O)[O-]

DOS

IR

Vibrations