Geometry & MOs

Info

ID:	364939
PubChem CID:	127316587
Reduced:	SN3O3C14H25 (1)
Stoich.:	AB3C3D14E25 (1)
Weight, g/mol:	361.182398
ΔH_f, kcal/mol:	-125.87
Dipole, Da:	3.88
IP(EA), eV:	-8.6(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-(4-cyclobutylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanylphenyl]acetamide

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)CCN3CCCS3(=O)=O

DOS

IR

Vibrations