Geometry & MOs

Info

ID:

186052

PubChem CID:

77384339

Reduced:

N6O7C29H32 (1)

Stoich.:

A6B7C29D32 (1)

Weight, g/mol:

680.295848

ΔHf, kcal/mol:

-183.68

Dipole, Da:

8.31

IP(EA), eV:

 -9.09(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[6-(1,2-diphenylethylamino)-2-phenylpyrimidine-4-carbonyl]amino]-5-(4-ethoxycarbonyloxypiperazin-1-yl)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)ON1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)NC4=CC=CC=C4

DOS

IR

Vibrations