Geometry & MOs

Info

ID:	156220
PubChem CID:	56369668
Reduced:	ON5C23H33 (1)
Stoich.:	AB5C23D33 (1)
Weight, g/mol:	461.189689
ΔH_f, kcal/mol:	-18.75
Dipole, Da:	7.32
IP(EA), eV:	-8.41(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

Drug info:

PubChemData

Smile

CCCCN(CC)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C

DOS

IR

Vibrations