Geometry & MOs

Info

ID:	235930
PubChem CID:	92711073
Reduced:	N4O4H18C23 (1)
Stoich.:	A4B4C18D23 (1)
Weight, g/mol:	462.226705
ΔH_f, kcal/mol:	-16.33
Dipole, Da:	1.74
IP(EA), eV:	-8.54(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)NC(=O)N[C@@H](C3=CC=CC=C3)C4=NN=C(O4)C5=CC=CC=C5

DOS

IR

Vibrations