Geometry & MOs

Info

ID:	235916
PubChem CID:	92711048
Reduced:	ON2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	456.179755
ΔH_f, kcal/mol:	34.81
Dipole, Da:	0.8
IP(EA), eV:	-8.81(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)N[C@H](C2=CC=CC=C2)C3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations