Geometry & MOs

Info

ID:

84912

PubChem CID:

49870636

Reduced:

NO6C26H31 (1)

Stoich.:

AB6C26D31 (1)

Weight, g/mol:

885.4457

ΔHf, kcal/mol:

-215.9

Dipole, Da:

6.42

IP(EA), eV:

 -8.21(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)O.COC1=CC2=C(C=C1)C3=C(CN4CCC[C@H]4C3)C5=CC(=C(C=C52)OC)OC

DOS

IR

Vibrations