Geometry & MOs

Info

ID:	425097
PubChem CID:	135125163
Reduced:	NF3O3C14H18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	490.185018
ΔH_f, kcal/mol:	-279.94
Dipole, Da:	4.13
IP(EA), eV:	-9.82(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[5-[(Z)-2-[5-(cyclobutylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

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C[C@@H](C1=CC=C(C=C1)C(CCOC)O)NC(=O)C(F)(F)F

DOS

IR

Vibrations