Geometry & MOs

Info

ID:

229605

PubChem CID:

87568145

Reduced:

NOC22H27 (1)

Stoich.:

ABC22D27 (1)

Weight, g/mol:

1000.529004

ΔHf, kcal/mol:

46.27

Dipole, Da:

7.36

IP(EA), eV:

 -8.71(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;(3R,4S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@H]2CC[C@]4([C@H]3C(=C)C(=C)C4C#N)C

DOS

IR

Vibrations