Geometry & MOs

Info

ID:	238196
PubChem CID:	92729781
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-49.6
Dipole, Da:	5.84
IP(EA), eV:	-9.09(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[[3-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoylamino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=NN=C(O2)C3=CC(=CC=C3)NC(=O)NC[C@H]4CCCO4

DOS

IR

Vibrations