Geometry & MOs

Info

ID:	375718
PubChem CID:	134220928
Reduced:	OSN2F3H21C22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	376.254835
ΔH_f, kcal/mol:	-91.39
Dipole, Da:	3.4
IP(EA), eV:	-8.42(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(4-butoxycyclohepta-1,3-dien-1-yl)methyl]cyclohexyl]-4-methyl-5,6-dihydro-1,2,4-thiadiazine

Drug info:

PubChemData

Smile

C1CC2(CCC1N3C2=NSCC3)C4=CC=C(C=C4)OC5=CC=CC=C5C(F)(F)F

DOS

IR

Vibrations