Geometry & MOs

Info

ID:

419884

PubChem CID:

135109581

Reduced:

N7O8C34H47 (1)

Stoich.:

A7B8C34D47 (1)

Weight, g/mol:

457.239913

ΔHf, kcal/mol:

-309.24

Dipole, Da:

5.41

IP(EA), eV:

 -9.53(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-cyclohexylsulfanylbenzimidazol-1-yl)-1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)C3=C(ON=C3C)C)CC4=CC=CC=C4)[C@@H](C)O

DOS

IR

Vibrations