Geometry & MOs

Info

ID:	66423
PubChem CID:	46504548
Reduced:	FO3N4C33H39 (1)
Stoich.:	AB3C4D33E39 (1)
Weight, g/mol:	431.022133
ΔH_f, kcal/mol:	-105.42
Dipole, Da:	9.7
IP(EA), eV:	-8.9(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[4-(trifluoromethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCCNC(=O)C2C(N(C(=O)C3=CC=CC=C23)CC4=CC=C(C=C4)F)C5=CC=C(C=C5)OC

DOS

IR

Vibrations