Geometry & MOs

Info

ID:	192765
PubChem CID:	78308826
Reduced:	N2S2F3O5C23H25 (1)
Stoich.:	A2B2C3D5E23F25 (1)
Weight, g/mol:	528.150112
ΔH_f, kcal/mol:	-324.23
Dipole, Da:	5.14
IP(EA), eV:	-9.37(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-[(6,7-dimethoxy-2-oxo-4aH-quinolin-3-yl)methyl]-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide

Drug info:

PubChemData

Smile

C1C2CC3C(CC2NC(=O)C1CN(CC4=CC=CS4)S(=O)(=O)C5=CC=CC(=C5)C(F)(F)F)OCO3

DOS

IR

Vibrations