Geometry & MOs

Info

ID:

419740

PubChem CID:

135108927

Reduced:

N7O8C42H53 (1)

Stoich.:

A7B8C42D53 (1)

Weight, g/mol:

313.179027

ΔHf, kcal/mol:

-238.85

Dipole, Da:

10.68

IP(EA), eV:

 -9.34(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3H-benzimidazol-5-yl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](COC2=CC=C(C[C@@H](C(=O)N1)NC(=O)C3CCN(CC3)C(=O)C4=CC=CC=N4)C=C2)CC5=CC=CC=C5)C(C)C)[C@@H](C)O

DOS

IR

Vibrations