Geometry & MOs

Info

ID:

319937

PubChem CID:

126657632

Reduced:

FN5C17H24 (1)

Stoich.:

AB5C17D24 (1)

Weight, g/mol:

679.173684

ΔHf, kcal/mol:

18.5

Dipole, Da:

2.6

IP(EA), eV:

 -8.16(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-methyl 5-hydroxy-6-[(12R)-10-(5-hydroxy-6-methoxy-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbothioate

Drug info:

PubChemData

Smile

C/C(=C(\C(=C/N=C)\N)/N)/C1=CC(=CC(=C1)F)N2CCN(CC2)C

DOS

IR

Vibrations