Geometry & MOs

Info

ID:

12157

PubChem CID:

131520

Reduced:

N5O5C40H51 (1)

Stoich.:

A5B5C40D51 (1)

Weight, g/mol:

681.38902

ΔHf, kcal/mol:

-182.52

Dipole, Da:

2.48

IP(EA), eV:

 -9.04(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3S,5S)-5-[[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamoyl]-3-hydroxy-1,8-diphenyloct-7-en-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCC1=NC2=CC=CC=C2N1)NC(=O)[C@@H](CC=CC3=CC=CC=C3)C[C@@H]([C@H](CC4=CC=CC=C4)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations