Geometry & MOs

Info

ID:

224146

PubChem CID:

85338730

Reduced:

S2N3O7C34H41 (1)

Stoich.:

A2B3C7D34E41 (1)

Weight, g/mol:

742.412609

ΔHf, kcal/mol:

-231.22

Dipole, Da:

8.78

IP(EA), eV:

 -8.82(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CCCCC1(CS(=O)(=O)C2=CC(=C(C=C2C(N1)C3=CC=CC=C3)SC)OCC(=O)NC(C4=CC=CC=C4)C(=O)NCC(=O)O)CC

DOS

IR

Vibrations