Geometry & MOs

Info

ID:	328492
PubChem CID:	126723413
Reduced:	FSO2N7C20H22 (1)
Stoich.:	ABC2D7E20F22 (1)
Weight, g/mol:	388.148159
ΔH_f, kcal/mol:	1.74
Dipole, Da:	0.72
IP(EA), eV:	-8.99(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10R)-10-(2-fluoro-5-pyrimidin-5-ylphenyl)-10-methyl-1-oxo-1lambda6-thia-2,7,9-triazabicyclo[5.4.0]undeca-1,8-dien-8-amine

Drug info:

PubChemData

Smile

CN=C(N)N1CCCCN=S1(=O)CC2=C(C=CC(=C2)NC(=O)C3=NC=C(C=C3)C#N)F

DOS

IR

Vibrations