Geometry & MOs

Info

ID:	160554
PubChem CID:	57389029
Reduced:	F2N5O5C23H25 (1)
Stoich.:	A2B5C5D23E25 (1)
Weight, g/mol:	412.106848
ΔH_f, kcal/mol:	-243.85
Dipole, Da:	5.94
IP(EA), eV:	-9.8(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(E)-3-phenylprop-2-enyl]-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylpropanamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)NC12CCC(CC1)(CN3C2=NC(C(=O)C3=O)C(=O)NCC4=CC=C(C=C4)F)F

DOS

IR

Vibrations