Geometry & MOs

Info

ID:	233661
PubChem CID:	91148342
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	650.16446
ΔH_f, kcal/mol:	-94.79
Dipole, Da:	4.29
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-N-[3-(4-fluorophenyl)-2-[4-[propan-2-yl(1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CC3(CCN(CC3)OC(=O)NC4CCCCC4)ON2

DOS

IR

Vibrations