Geometry & MOs

Info

ID:	164218
PubChem CID:	74382383
Reduced:	ClO2N5C25H28 (1)
Stoich.:	AB2C5D25E28 (1)
Weight, g/mol:	475.038053
ΔH_f, kcal/mol:	43.53
Dipole, Da:	3.14
IP(EA), eV:	-8.5(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)OC)N1CCN(CC1)CC2=CC=CC3=NC(=C4C5C=CC(=CC5=NN4)Cl)C=C32

DOS

IR

Vibrations