Geometry & MOs

Info

ID:	151736
PubChem CID:	56310360
Reduced:	ClFO2N4C21H24 (1)
Stoich.:	ABC2D4E21F24 (1)
Weight, g/mol:	449.140072
ΔH_f, kcal/mol:	-82.65
Dipole, Da:	4.87
IP(EA), eV:	-8.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)F

DOS

IR

Vibrations