Geometry & MOs

Info

ID:	231271
PubChem CID:	87573311
Reduced:	N2O5C21H38 (1)
Stoich.:	A2B5C21D38 (1)
Weight, g/mol:	539.074974
ΔH_f, kcal/mol:	-282.82
Dipole, Da:	3.34
IP(EA), eV:	-9.61(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCC(C)(C)C(=O)NCC1C(N(C(O1)(C)C)C(=O)O)CC(C=O)C(C)C

DOS

IR

Vibrations