Geometry & MOs

Info

ID:

84644

PubChem CID:

49869033

Reduced:

O2N5C24H25 (1)

Stoich.:

A2B5C24D25 (1)

Weight, g/mol:

820.540889

ΔHf, kcal/mol:

69.66

Dipole, Da:

0.93

IP(EA), eV:

 -8.8(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S,4R,6R)-6-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] N-(methylamino)carbamate

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)NC(=O)/C=C/CN(C)C

DOS

IR

Vibrations