Geometry & MOs

Info

ID:

186048

PubChem CID:

77383965

Reduced:

O3N7C34H37 (1)

Stoich.:

A3B7C34D37 (1)

Weight, g/mol:

605.311438

ΔHf, kcal/mol:

-37.18

Dipole, Da:

3.33

IP(EA), eV:

 -8.64(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-oxo-1-[2-[6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]pentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCCC1C2=NC3=C(N2)C=C(C=C3)C4=CC5=C(C=C4)C=C(C=C5)C6=CN=C(N6)C7CCCN7)NC(=O)OC

DOS

IR

Vibrations