Geometry & MOs

Info

ID:	152100
PubChem CID:	56310957
Reduced:	SN3O4C17H27 (1)
Stoich.:	AB3C4D17E27 (1)
Weight, g/mol:	442.142324
ΔH_f, kcal/mol:	-160.72
Dipole, Da:	4.32
IP(EA), eV:	-9.48(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)S(=O)(=O)NCCC(C)C2=CC=CC=C2

DOS

IR

Vibrations