Geometry & MOs

Info

ID:	145558
PubChem CID:	53545068
Reduced:	ClO2F3N3H13C14 (1)
Stoich.:	AB2C3D3E13F14 (1)
Weight, g/mol:	407.130363
ΔH_f, kcal/mol:	-187.79
Dipole, Da:	6.21
IP(EA), eV:	-9.61(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dioxo-N-phenyl-N-(2-phenylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)Cl)NC(=O)COC

DOS

IR

Vibrations