Geometry & MOs

Info

ID:

15642

PubChem CID:

446528

Reduced:

N8O8C37H56 (1)

Stoich.:

A8B8C37D56 (1)

Weight, g/mol:

740.422111

ΔHf, kcal/mol:

-372.0

Dipole, Da:

9.03

IP(EA), eV:

 -8.49(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S,3S)-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-[[(2S)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanediamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C=O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3

DOS

IR

Vibrations