Geometry & MOs

Info

ID:	71290
PubChem CID:	48414577
Reduced:	FO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-54.62
Dipole, Da:	1.11
IP(EA), eV:	-9.04(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-but-3-ynylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CNC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations