Geometry & MOs

Info

ID:

186050

PubChem CID:

77384304

Reduced:

N6O7C33H46 (1)

Stoich.:

A6B7C33D46 (1)

Weight, g/mol:

631.264213

ΔHf, kcal/mol:

-264.65

Dipole, Da:

7.69

IP(EA), eV:

 -9.28(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[(6-cyclopentyloxy-2-phenylpyrimidine-4-carbonyl)amino]-3-(4-ethoxycarbonyloxypiperazin-1-yl)-3-oxopropyl]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)ON1CCN(CC1)C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)NC4CCCCC4

DOS

IR

Vibrations