Geometry & MOs

Info

ID:	32921
PubChem CID:	7849484
Reduced:	NSO5C21H23 (1)
Stoich.:	ABC5D21E23 (1)
Weight, g/mol:	365.101171
ΔH_f, kcal/mol:	-177.56
Dipole, Da:	6.5
IP(EA), eV:	-9.5(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O[C@@H](C)C(=O)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations