Geometry & MOs

Info

ID:	71244
PubChem CID:	48414511
Reduced:	ON5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	403.102434
ΔH_f, kcal/mol:	80.0
Dipole, Da:	3.37
IP(EA), eV:	-8.36(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-but-3-ynylpiperazine-1-carbonyl)phenyl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)N4CCN(CC4)CCC#C

DOS

IR

Vibrations