Geometry & MOs

Info

ID:

48711

PubChem CID:

11528253

Reduced:

N2C34H35 (2)

Stoich.:

A2B34C35 (2)

Weight, g/mol:

1225.62037

ΔHf, kcal/mol:

275.86

Dipole, Da:

2.9

IP(EA), eV:

 -7.6(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C3=C(C(=C(N3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)CC)C)C6=CC=C(C=C6)C#CC7=CC=C(C=C7)C#CC8=CC=CC=C8)C)CC)CC)C)C9=CC(=CC(=C9)C(C)(C)C)C(C)(C)C)C

DOS

IR

Vibrations