Geometry & MOs

Info

ID:	44978
PubChem CID:	10506969
Reduced:	N5O9C26H29 (1)
Stoich.:	A5B9C26D29 (1)
Weight, g/mol:	555.202204
ΔH_f, kcal/mol:	-319.6
Dipole, Da:	6.1
IP(EA), eV:	-9.13(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-dibenzofuran-3-yl-2-[[(1R)-3-(3,4-dimethoxyphenyl)-1-dimethoxyphosphorylpropyl]amino]propanoate

Drug info:

PubChemData

Smile

COC(=O)C[C@H]1C(=O)N(CCN1C(=O)[C@H](CC2=CC(=C(C=C2)O)O)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

DOS

IR

Vibrations