Geometry & MOs

Info

ID:

299781

PubChem CID:

117689395

Reduced:

O2N5H25C27 (1)

Stoich.:

A2B5C25D27 (1)

Weight, g/mol:

479.242021

ΔHf, kcal/mol:

85.22

Dipole, Da:

6.31

IP(EA), eV:

 -8.56(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy-[(5R)-4-oxaspiro[2.4]heptan-5-yl]methyl]benzimidazole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C(C2=CC=CC=N2)(C3=C4C(=CC(=C3)C5=C(ON=C5C)C)NC(=N4)C6CC6)O

DOS

IR

Vibrations