Geometry & MOs

Info

ID:

220117

PubChem CID:

85165262

Reduced:

O8C15H19 (2)

Stoich.:

A8B15C19 (2)

Weight, g/mol:

654.245466

ΔHf, kcal/mol:

-693.77

Dipole, Da:

2.67

IP(EA), eV:

 -9.28(0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-pyridin-4-ylpropyl 2-[methoxy-[1-[[2-[[2-(methoxycarbonylamino)acetyl]amino]acetyl]amino]-2-phenylethyl]phosphoryl]oxy-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OCC2=CC=CC=C2)OC3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations