Geometry & MOs

Info

ID:	152690
PubChem CID:	56311721
Reduced:	ClNSO4C18H20 (1)
Stoich.:	ABCD4E18F20 (1)
Weight, g/mol:	428.101763
ΔH_f, kcal/mol:	-119.59
Dipole, Da:	8.93
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations