Geometry & MOs

Info

ID:	79507
PubChem CID:	49786933
Reduced:	ClSN2O5C23H23 (1)
Stoich.:	ABC2D5E23F23 (1)
Weight, g/mol:	471.107576
ΔH_f, kcal/mol:	-145.61
Dipole, Da:	6.59
IP(EA), eV:	-9.42(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)sulfonyl-2-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]azetidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CCN1C(=O)C2(CC2)C3=CC=C(C=C3)Cl)C(=O)NS(=O)(=O)C4=CC5=C(C=C4)OCC5

DOS

IR

Vibrations