Geometry & MOs

Info

ID:	175041
PubChem CID:	75849248
Reduced:	SO4N5C21H23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	478.326754
ΔH_f, kcal/mol:	-62.75
Dipole, Da:	7.4
IP(EA), eV:	-9.43(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylcarbamoyl)-2-[4-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations