Geometry & MOs

Info

ID:	71271
PubChem CID:	48414551
Reduced:	SN3O5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	377.177313
ΔH_f, kcal/mol:	-114.88
Dipole, Da:	6.68
IP(EA), eV:	-8.98(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-4-(4-but-3-ynylpiperazine-1-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCN(CC1)CCC#C)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations