Geometry & MOs

Info

ID:

1676

PubChem CID:

4862

Reduced:

ClN6O12C36H45 (1)

Stoich.:

AB6C12D36E45 (1)

Weight, g/mol:

788.278399

ΔHf, kcal/mol:

-466.26

Dipole, Da:

14.27

IP(EA), eV:

 -9.18(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[1-[14-chloro-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-prop-1-en-2-yl-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]-2,5-dihydropyrrole-2-carbonyl]amino]-3-methylpent-2-enoyl]amino]but-2-enedioic acid

Drug info:

PubChemData

Smile

CCC(=C(C(=O)NC(=CC(=O)O)C(=O)O)NC(=O)C1C=CCN1C(=O)C2C(OC3=C(C(=CC(=C3)C(C(C(=O)NC(C(=O)N2)C(=C)C)NC)O)Cl)O)(C)CC)C

DOS

IR

Vibrations