Geometry & MOs

Info

ID:

417

PubChem CID:

2737

Reduced:

N3O26C83H133 (1)

Stoich.:

A3B26C83D133 (1)

Weight, g/mol:

1587.917731

ΔHf, kcal/mol:

-1136.62

Dipole, Da:

16.89

IP(EA), eV:

 -7.13(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[15-[carboxy(hydroxy)methyl]-24,28,30-trihydroxy-18-[2-hydroxy-1-[[3,7,11,13-tetrahydroxy-12-[(7-hydroxy-9-methoxy-4,4,6,8,8-pentamethyl-5,9-dioxonon-2-enoyl)amino]-2,6,8,10,14-pentamethylpentadec-8-enoyl]amino]propyl]-19,23,25,27,29,34-hexamethyl-13,16-dioxo-17,36-dioxa-14-azabicyclo[30.3.1]hexatriaconta-3,5,9,11,22,26-hexaen-20-yl]oxy]-2-hydroxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1CC2CC=CC=CCCC=CC=CC(=O)NC(C(=O)OC(C(C(CC=C(C(C(C=C(C(C(C(CC(C1)O2)O)C)O)C)C)O)C)OC(=O)CC(C(=O)O)O)C)C(C(C)O)NC(=O)C(C)C(CCC(C)C(C(=CC(C)C(C(C(C(C)C)O)NC(=O)C=CC(C)(C)C(=O)C(C)C(C(C)(C)C(=O)OC)O)O)C)O)O)C(C(=O)O)O

DOS

IR

Vibrations