Geometry & MOs

Info

ID:	309785
PubChem CID:	126558735
Reduced:	N2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	524.205754
ΔH_f, kcal/mol:	39.36
Dipole, Da:	1.16
IP(EA), eV:	-9.61(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S,6S)-2-amino-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[2-(3-methyloxetan-3-yl)ethynyl]pyridin-2-yl]ethenyl]phenyl]-N,4,5,6-tetramethyl-5H-1,3-thiazine-6-carboxamide

Drug info:

PubChemData

Smile

C/C=C\CC(=C)CCC1=NC=C(N=C1)C

DOS

IR

Vibrations