Geometry & MOs

Info

ID:	164273
PubChem CID:	74382681
Reduced:	ON5H27C29 (1)
Stoich.:	AB5C27D29 (1)
Weight, g/mol:	533.10324
ΔH_f, kcal/mol:	96.95
Dipole, Da:	3.5
IP(EA), eV:	-8.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC(N1)C2=CC=CC=C2)C3=CC=CC(=N3)C(=O)C4=C(N=CC(=C4)C=CC5=CC=CC=C5)N

DOS

IR

Vibrations