Geometry & MOs

Info

ID:	229712
PubChem CID:	87568611
Reduced:	SN2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	495.205716
ΔH_f, kcal/mol:	94.04
Dipole, Da:	5.72
IP(EA), eV:	-8.23(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-(2-fluorophenyl)-3-[4-[2-hydroxy-3-[(2-methoxy-2-phenoxyethyl)amino]propoxy]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CC2=NSN=C2)C3=CNC(=S)N3

DOS

IR

Vibrations