Geometry & MOs

Info

ID:	71416
PubChem CID:	48414830
Reduced:	FOSN4C21H21 (1)
Stoich.:	ABCD4E21F21 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	56.46
Dipole, Da:	3.67
IP(EA), eV:	-8.69(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-but-3-ynylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)N3CCN(CC3)CCC#C)C4=CC=C(C=C4)F

DOS

IR

Vibrations