Geometry & MOs

Info

ID:	150314
PubChem CID:	53790002
Reduced:	SO4N5C24H27 (1)
Stoich.:	AB4C5D24E27 (1)
Weight, g/mol:	340.272593
ΔH_f, kcal/mol:	-61.91
Dipole, Da:	8.91
IP(EA), eV:	-8.31(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(piperazine-1-carbonyl)tetradecanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)NC=C4)OCCCN5CCS(=O)(=O)CC5

DOS

IR

Vibrations