Geometry & MOs

Info

ID:	364911
PubChem CID:	127316499
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	-55.45
Dipole, Da:	0.95
IP(EA), eV:	-8.74(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclobutylpiperazin-1-yl)-(2-morpholin-4-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCN(CC1)C2CCC2)S(=O)(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations