Geometry & MOs

Info

ID:

320770

PubChem CID:

126663312

Reduced:

FIN4O11C30H40 (1)

Stoich.:

ABC4D11E30F40 (1)

Weight, g/mol:

738.39925

ΔHf, kcal/mol:

-456.22

Dipole, Da:

0.84

IP(EA), eV:

 -9.16(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 17-ethyl-13-[(10S,11R,12R)-12-ethyl-10-formyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(N(C1=O)C)NC2=C(C=C(C=C2)I)F)C(=O)NOCCOC(=O)[C@H](C)NC(=O)CCCC(=O)OCC(OC)OC(C)CO

DOS

IR

Vibrations