Geometry & MOs

Info

ID:	364932
PubChem CID:	127316578
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	369.101082
ΔH_f, kcal/mol:	-99.52
Dipole, Da:	6.76
IP(EA), eV:	-8.89(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4CCC4

DOS

IR

Vibrations