Geometry & MOs

Info

ID:	230121
PubChem CID:	87570252
Reduced:	F2N2O5C27H28 (1)
Stoich.:	A2B2C5D27E28 (1)
Weight, g/mol:	498.196628
ΔH_f, kcal/mol:	-189.04
Dipole, Da:	6.1
IP(EA), eV:	-8.69(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3,4-difluorophenyl)-2-[4-[2-hydroxy-3-[(2-methoxy-2-phenoxyethyl)amino]propoxy]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC(COC1=CC=C(C=C1)/C(=C/C2=CC(=C(C=C2)F)F)/C(=O)N)O)OC3=CC=CC=C3OC

DOS

IR

Vibrations