Geometry & MOs

Info

ID:

168432

PubChem CID:

74966644

Reduced:

NO5C14H20 (2)

Stoich.:

AB5C14D20 (2)

Weight, g/mol:

609.224002

ΔHf, kcal/mol:

-421.72

Dipole, Da:

3.99

IP(EA), eV:

 -9.45(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-2-[[2-benzyl-3-[hydroxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]propanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1OC(=O)CCN)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)C)O

DOS

IR

Vibrations