Geometry & MOs

Info

ID:

421334

PubChem CID:

135115795

Reduced:

N3O6C29H31 (1)

Stoich.:

A3B6C29D31 (1)

Weight, g/mol:

749.357068

ΔHf, kcal/mol:

-72.15

Dipole, Da:

3.85

IP(EA), eV:

 -8.22(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,15R)-15-benzyl-13-[1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-5-carbonyl]-3-methyl-6-(2-methylsulfanylethyl)-9-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

COC1=C(C=C2C3C4=CC=C(C=C4)OCCOCCN(CC(=O)N3CCC2=C1)C(=O)C5=CC=NC=C5)OC

DOS

IR

Vibrations