Geometry & MOs

Info

ID:	236406
PubChem CID:	92712758
Reduced:	SO3N4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	412.138284
ΔH_f, kcal/mol:	-21.98
Dipole, Da:	9.18
IP(EA), eV:	-8.54(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2S)-3-acetyl-5-[4-(dimethylamino)-3-nitrophenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NN([C@@H](O3)C4=CSC5=C4CCCC5)C(=O)C

DOS

IR

Vibrations