Geometry & MOs

Info

ID:

17228

PubChem CID:

489382

Reduced:

O4N6C39H58 (1)

Stoich.:

A4B6C39D58 (1)

Weight, g/mol:

674.451954

ΔHf, kcal/mol:

-55.5

Dipole, Da:

8.96

IP(EA), eV:

 -7.16(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[(2S,3S)-1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-2-benzyl-5-[[2-(tert-butylamino)-2-oxoethyl]-(cyclohexylmethyl)amino]-4-hydroxypentanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCC1=NC2=CC=CC=C2N1)NC(=O)[C@H](CC3=CC=CC=C3)CC(CN(CC4CCCCC4)CC(=O)NC(C)(C)C)O

DOS

IR

Vibrations