Geometry & MOs

Info

ID:	231819
PubChem CID:	87574723
Reduced:	ON3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	499.11889
ΔH_f, kcal/mol:	0.26
Dipole, Da:	1.38
IP(EA), eV:	-8.37(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C(C[C@H]1C2=CC=CC=C2)C3CNC[C@]34CCNC5=CC=CC=C45)C=O

DOS

IR

Vibrations