Geometry & MOs

Info

ID:

44939

PubChem CID:

10506680

Reduced:

SN4O5C28H38 (1)

Stoich.:

AB4C5D28E38 (1)

Weight, g/mol:

542.369287

ΔHf, kcal/mol:

-208.21

Dipole, Da:

4.04

IP(EA), eV:

 -9.09(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[[(2S)-2,3-diamino-3-oxopropyl]amino]methyl]-N-[(2R)-1-(dodecylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations