Geometry & MOs

Info

ID:	236424
PubChem CID:	92712798
Reduced:	N4O5H18C19 (1)
Stoich.:	A4B5C18D19 (1)
Weight, g/mol:	430.104397
ΔH_f, kcal/mol:	-52.15
Dipole, Da:	6.07
IP(EA), eV:	-9.26(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-3-acetyl-5-(4-nitrophenyl)-2H-1,3,4-oxadiazol-2-yl]-N-(4-chloro-2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](OC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])CN(C3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations