Geometry & MOs

Info

ID:	409769
PubChem CID:	135082554
Reduced:	FePO2H20C25 (1)
Stoich.:	ABC2D20E25 (1)
Weight, g/mol:	527.194402
ΔH_f, kcal/mol:	53.1
Dipole, Da:	3.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.902837
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-[4-[3-(4-methoxyphenoxy)phenoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].C1=C[CH]C=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe]

DOS

IR

Vibrations