Geometry & MOs

Info

ID:	181731
PubChem CID:	76784923
Reduced:	ClF2N2O3H19C21 (1)
Stoich.:	AB2C2D3E19F21 (1)
Weight, g/mol:	397.119319
ΔH_f, kcal/mol:	-150.95
Dipole, Da:	4.81
IP(EA), eV:	-9.52(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-4-isocyano-2-methylphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1Cl)[N+]#[C-])CC(C(C)O)C(=O)NCC(=O)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations