Geometry & MOs

Info

ID:

173131

PubChem CID:

75602945

Reduced:

O4N7C36H41 (1)

Stoich.:

A4B7C36D41 (1)

Weight, g/mol:

735.353303

ΔHf, kcal/mol:

-80.33

Dipole, Da:

5.93

IP(EA), eV:

 -8.48(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-1-[3-[[[5-[6-[2-[1-(2-hydroxy-3-phenylpropanoyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]pyrimidin-2-yl]amino]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2CCCO2)C3=NC=C(N3)C4=CC5=C(C=C4)C=C(C=C5)C6=CN=C(N=C6)NCC7CCN(C7)C(=O)C8CCCO8

DOS

IR

Vibrations