Geometry & MOs

Info

ID:	138514
PubChem CID:	52378893
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	361.200156
ΔH_f, kcal/mol:	-137.4
Dipole, Da:	2.27
IP(EA), eV:	-8.35(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-propan-2-ylazaniumyl]-2-(4-methoxy-3,5-dimethylphenyl)acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CCCC(=O)N2CC[C@@H](C2)C(=O)NC)C

DOS

IR

Vibrations