Geometry & MOs

Info

ID:

429329

PubChem CID:

135169298

Reduced:

O3N5C28H37 (1)

Stoich.:

A3B5C28D37 (1)

Weight, g/mol:

532.221637

ΔHf, kcal/mol:

-104.29

Dipole, Da:

2.46

IP(EA), eV:

 -8.75(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide

Drug info:

PubChemData

Smile

CC[C@H](C1CCCCC1)NC(=O)N2[C@@H](C(C2=O)CC3=CC(=NC(=C3)C)N)C(=O)N(C)C4=CC=CC=C4

DOS

IR

Vibrations