Geometry & MOs

Info

ID:	59413
PubChem CID:	24857144
Reduced:	ClSO4N6C19H19 (1)
Stoich.:	ABC4D6E19F19 (1)
Weight, g/mol:	447.288577
ΔH_f, kcal/mol:	-72.38
Dipole, Da:	5.3
IP(EA), eV:	-9.2(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-[5-[[dimethyl(4-phenylbutyl)azaniumyl]methyl]-1,2,4-oxadiazol-3-yl]-phenylmethanolate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=O)N(C(=N3)C)CCC(=O)NO

DOS

IR

Vibrations