Geometry & MOs

Info

ID:

190624

PubChem CID:

78032848

Reduced:

SO3N10C23H30 (1)

Stoich.:

AB3C10D23E30 (1)

Weight, g/mol:

750.415649

ΔHf, kcal/mol:

34.77

Dipole, Da:

10.64

IP(EA), eV:

 -9.16(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-7-fluoro-13-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8,16-pentaen-13-yl)-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)OC2=NC(=NC3=CC=CC=C32)CN4C5C(C(NCN5)N)C(=C6C=NN=C6)N4

DOS

IR

Vibrations