Geometry & MOs

Info

ID:	425292
PubChem CID:	135125834
Reduced:	NOC11H11 (2)
Stoich.:	ABC11D11 (2)
Weight, g/mol:	467.129061
ΔH_f, kcal/mol:	-31.59
Dipole, Da:	2.04
IP(EA), eV:	-8.89(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-6,6-difluoro-2,2,5-trimethyl-1,4-thiazin-3-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CC(=C2)C3=CC4=C(C=C3)OC5(CCNCC5)OC4)C=N1

DOS

IR

Vibrations