Geometry & MOs

Info

ID:	164068
PubChem CID:	74381737
Reduced:	N2O2C13H16 (2)
Stoich.:	A2B2C13D16 (2)
Weight, g/mol:	532.119224
ΔH_f, kcal/mol:	-110.67
Dipole, Da:	3.76
IP(EA), eV:	-8.26(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C=O)OC1C(=CN=C2N1C=CC=C2)C3=CC=C(C=C3)NC4CCN(C4)C(=O)OC(C)(C)C

DOS

IR

Vibrations