Geometry & MOs

Info

ID:

215538

PubChem CID:

85084880

Reduced:

SO11N13C45H81 (1)

Stoich.:

AB11C13D45E81 (1)

Weight, g/mol:

1017.370254

ΔHf, kcal/mol:

-567.26

Dipole, Da:

15.57

IP(EA), eV:

 -9.09(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[17-(5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl)oxy-18-(2-amino-6-oxo-2,3,4,5-tetrahydro-1H-purin-7-yl)-19-(dimethoxymethyl)-10,13,18-trihydroxy-6-methoxy-3-methyl-11-oxo-16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosa-2(15),3,5(14),6,12-pentaen-8-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CCCC(C(=O)NC(C(C)CC)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC)NC(=O)C(C(C)O)NC(=O)C(CC(C)C)NC(=O)C(CS)N(C)C(=O)CNC(=O)CN(C)C(=O)C

DOS

IR

Vibrations