Geometry & MOs

Info

ID:

12046

PubChem CID:

127780

Reduced:

NO10C35H49 (1)

Stoich.:

AB10C35D49 (1)

Weight, g/mol:

643.335647

ΔHf, kcal/mol:

-425.28

Dipole, Da:

4.84

IP(EA), eV:

 -8.87(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S,4S,5R,6S)-6-[[(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-10-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

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C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=CC(=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)O4)CC8CC8)OC)(C(C)(C)C)O

DOS

IR

Vibrations