Geometry & MOs

Info

ID:

181664

PubChem CID:

76772953

Reduced:

NC7H8 (4)

Stoich.:

AB7C8 (4)

Weight, g/mol:

709.290034

ΔHf, kcal/mol:

75.07

Dipole, Da:

3.15

IP(EA), eV:

 -8.75(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-1-[2-[6-[2-[4-[2-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-2-yl]-2-oxoethyl]phenyl]-1,3-oxazol-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NC3=C(N2)C=C(C=C3)C4=CC=C(C=C4)CCC5=CN=C(C5)C6CCCN6

DOS

IR

Vibrations