Geometry & MOs

Info

ID:	238197
PubChem CID:	92729782
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	-96.67
Dipole, Da:	2.84
IP(EA), eV:	-9.16(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C)NC(=O)NC1=CC=CC(=C1)C2=NN=C(O2)CC3=CC=C(C=C3)C

DOS

IR

Vibrations