Geometry & MOs

Info

ID:	401119
PubChem CID:	135050227
Reduced:	SN4H18C20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	293.161349
ΔH_f, kcal/mol:	132.74
Dipole, Da:	3.03
IP(EA), eV:	-8.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2'S,5'R)-2-fluoro-5'-methyl-2'-propan-2-ylspiro[4H-1,2-benzothiazine-3,1'-cyclohexane]

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N=C(C2=CC=CS2)N3C4=CC=CC=C4N=N3)C

DOS

IR

Vibrations