Geometry & MOs

Info

ID:

134108

PubChem CID:

51644614

Reduced:

N4O5C26H28 (1)

Stoich.:

A4B5C26D28 (1)

Weight, g/mol:

609.128488

ΔHf, kcal/mol:

-148.26

Dipole, Da:

1.78

IP(EA), eV:

 -8.77(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 -3

Chem-info

IUPAC name:

(2S)-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-amino-4-carboxylatobutanoyl]amino]-3-(carboxylatomethylamino)-3-oxopropyl]disulfanyl]-1-(carboxylatomethylamino)-1-oxopropan-2-yl]amino]-2-azaniumyl-5-oxopentanoate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N(C=N2)CCCC(=O)N3C[C@@H](OC4=CC=CC=C43)C(=O)N5CCOCC5

DOS

IR

Vibrations