Geometry & MOs

Info

ID:	231742
PubChem CID:	87574547
Reduced:	ClON2C22H45 (1)
Stoich.:	ABC2D22E45 (1)
Weight, g/mol:	492.125453
ΔH_f, kcal/mol:	-14.53
Dipole, Da:	89.88
IP(EA), eV:	-5.0(-4.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2-(ethylamino)-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)O.[Cl-]

DOS

IR

Vibrations