Geometry & MOs

Info

ID:

80527

PubChem CID:

49834949

Reduced:

N9C22H29 (1)

Stoich.:

A9B22C29 (1)

Weight, g/mol:

843.401435

ΔHf, kcal/mol:

126.05

Dipole, Da:

3.15

IP(EA), eV:

 -8.49(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide;[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC2=NC(=NC(=N2)NC3=NNC(=C3)C4CC4)N5CCN(CC5)C

DOS

IR

Vibrations