Geometry & MOs

Info

ID:	233736
PubChem CID:	92093177
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	393.075882
ΔH_f, kcal/mol:	-36.99
Dipole, Da:	5.3
IP(EA), eV:	-9.43(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-pyridin-4-ylpyridin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC2=C(N=CC=C2)C3=CC=NC=C3)C

DOS

IR

Vibrations