Geometry & MOs

Info

ID:	307034
PubChem CID:	125264706
Reduced:	FS2O3N7H18C19 (1)
Stoich.:	AB2C3D7E18F19 (1)
Weight, g/mol:	403.214744
ΔH_f, kcal/mol:	-65.09
Dipole, Da:	3.95
IP(EA), eV:	-9.25(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-4-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol

Drug info:

PubChemData

Smile

CC1=N[C@@H](SC1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=NC(=O)NC(=O)C4

DOS

IR

Vibrations