Geometry & MOs

Info

ID:	298914
PubChem CID:	117664323
Reduced:	FCl2O2N5C26H26 (1)
Stoich.:	AB2C2D5E26F26 (1)
Weight, g/mol:	413.199094
ΔH_f, kcal/mol:	-32.69
Dipole, Da:	6.99
IP(EA), eV:	-7.83(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-methoxy-3-(3-methylbut-3-enyl)-N-phenyl-6-[(E)-2-phenylethenyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)OCCCN4CC5=CC=CNC=C5C4.Cl

DOS

IR

Vibrations