Geometry & MOs

Info

ID:

128270

PubChem CID:

51037079

Reduced:

ClOSN3H18C22 (1)

Stoich.:

ABCD3E18F22 (1)

Weight, g/mol:

1256.71421

ΔHf, kcal/mol:

58.45

Dipole, Da:

5.35

IP(EA), eV:

-8.78(-1.2)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

C1CC1CNC(=O)C2=CC=CC3=C2N=C(C4=C3SC=C4)NC5=CC=CC=C5Cl

DOS

IR

Vibrations