Geometry & MOs

Info

ID:	71286
PubChem CID:	48414571
Reduced:	SN3O4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	403.192963
ΔH_f, kcal/mol:	-82.8
Dipole, Da:	2.88
IP(EA), eV:	-9.06(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-but-3-ynylpiperazin-1-yl)-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

DOS

IR

Vibrations