Geometry & MOs

Info

ID:	68610
PubChem CID:	46508761
Reduced:	N3O5C29H29 (1)
Stoich.:	A3B5C29D29 (1)
Weight, g/mol:	413.109707
ΔH_f, kcal/mol:	-111.16
Dipole, Da:	8.15
IP(EA), eV:	-9.09(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NC(CC(=O)OC(C)C)C4=CC=C(C=C4)OC

DOS

IR

Vibrations