Geometry & MOs

Info

ID:	71638
PubChem CID:	48415144
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	6.97
Dipole, Da:	5.34
IP(EA), eV:	-8.77(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-but-3-ynylpiperazine-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3CC3

DOS

IR

Vibrations