Geometry & MOs

Info

ID:	425170
PubChem CID:	135125399
Reduced:	BrFOC10H10 (1)
Stoich.:	ABCD10E10 (1)
Weight, g/mol:	451.093282
ΔH_f, kcal/mol:	-58.93
Dipole, Da:	2.34
IP(EA), eV:	-9.6(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S,6S)-2-amino-4-[5-[(Z)-2-(5-chloropyridin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-4,6-dimethyl-5H-1,3-thiazine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C=C)(C1=C(C=CC(=C1)Br)F)O

DOS

IR

Vibrations