Geometry & MOs

Info

ID:	425084
PubChem CID:	135125126
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	454.97622
ΔH_f, kcal/mol:	-64.68
Dipole, Da:	3.94
IP(EA), eV:	-8.76(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[5-[(Z)-2-bromo-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-yl]carbamic acid

Drug info:

PubChemData

Smile

C1CC2(CCN(CC2)C(=O)N)OC3=C1C=C(C=C3)C4=CC5=C(C=C4)OC=N5

DOS

IR

Vibrations