Geometry & MOs

Info

ID:	71479
PubChem CID:	48414937
Reduced:	SO2N3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	69.38
Dipole, Da:	2.97
IP(EA), eV:	-8.94(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-but-3-ynylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=C(N=C(S2)C3=CC=CO3)C4=CC=CC=C4

DOS

IR

Vibrations