Geometry & MOs

Info

ID:

32264

PubChem CID:

6436241

Reduced:

N2O4C21H22 (1)

Stoich.:

A2B4C21D22 (1)

Weight, g/mol:

1547.799741

ΔHf, kcal/mol:

-65.93

Dipole, Da:

2.73

IP(EA), eV:

 -8.76(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-aminobutanedioic acid;(1R,3S,5S,7R,9R,13R,19E,21E,23Z,25Z,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-[[2-(dimethylamino)acetyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-[2-(dimethylamino)ethyl]-1,3,5,7,9,13,37-heptahydroxy-17-[(2S)-5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxamide

Drug info:

PubChemData

Smile

C/C=C\1/CN([C@H]2CC3=C(C(=O)C[C@@H]1[C@H]2C(=O)OC)NC4=CC=CC=C34)C=O

DOS

IR

Vibrations