Geometry & MOs

Info

ID:	185235
PubChem CID:	77272707
Reduced:	OC4H7 (6)
Stoich.:	AB4C7 (6)
Weight, g/mol:	444.210759
ΔH_f, kcal/mol:	-326.82
Dipole, Da:	6.45
IP(EA), eV:	-10.22(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-fluoro-4-(4-pyrazin-2-ylpiperazin-1-yl)-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadec-3-en-11-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC1(C(=O)CCCC1=O)C(CO)O

DOS

IR

Vibrations