Geometry & MOs

Info

ID:	235910
PubChem CID:	92711039
Reduced:	O3N4H22C24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	442.164105
ΔH_f, kcal/mol:	4.27
Dipole, Da:	2.81
IP(EA), eV:	-8.36(-1.12)
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]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)N[C@@H](C2=CC=CC=C2)C3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations