Geometry & MOs

Info

ID:	350541
PubChem CID:	127277903
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	397.167142
ΔH_f, kcal/mol:	-169.88
Dipole, Da:	3.63
IP(EA), eV:	-9.01(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(oxan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC3CCOCC3

DOS

IR

Vibrations