Geometry & MOs

Info

ID:	237969
PubChem CID:	92723324
Reduced:	NO2H21C22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	439.117747
ΔH_f, kcal/mol:	2.57
Dipole, Da:	6.11
IP(EA), eV:	-8.15(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazin-3-yl]-N-[(2R)-2-phenylpropyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1C3=C(C(=O)C3=O)C4=C(C=C(C(=C4)C)C)C

DOS

IR

Vibrations