Geometry & MOs

Info

ID:

15601

PubChem CID:

445423

Reduced:

N6O13C34H60 (1)

Stoich.:

A6B13C34D60 (1)

Weight, g/mol:

760.421836

ΔHf, kcal/mol:

-518.99

Dipole, Da:

1.72

IP(EA), eV:

 -8.88(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[3-[(2S,5S)-5-[3-[(1,5-dihydroxy-3-methylpentyl)-hydroxyamino]prop-1-enyl]-3,6-dioxopiperazin-2-yl]prop-1-enyl-hydroxyamino]-5-hydroxypent-3-enyl] (2R)-2-acetamido-5-[[(3S)-1,5-dihydroxy-3-methylpentyl]-hydroxyamino]pentanoate

Drug info:

PubChemData

Smile

C[C@@H](CCO)CC(N(CCC[C@H](C(=O)OCCC=CC(N(C=CC[C@H]1C(=O)N[C@H](C(=O)N1)C=CCN(C(CC(C)CCO)O)O)O)O)NC(=O)C)O)O

DOS

IR

Vibrations