Geometry & MOs

Info

ID:

303379

PubChem CID:

124489604

Reduced:

ClON5C26H38 (1)

Stoich.:

ABC5D26E38 (1)

Weight, g/mol:

436.152203

ΔHf, kcal/mol:

-42.96

Dipole, Da:

3.33

IP(EA), eV:

 -8.32(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(16R)-11,20-dihydroxy-16-(2-hydroxypropan-2-yl)-7,7-dimethyl-2,8,17-trioxapentacyclo[12.9.0.03,12.04,9.018,23]tricosa-1(14),3(12),4(9),5,10,18(23),19,21-octaen-13-one

Drug info:

PubChemData

Smile

CCC[C@@H](C(=O)NC1=CN(C=N1)C(C)(C)CN2CCCC2)N[C@H]3CCC4=C(C3)C(=CC=C4)Cl

DOS

IR

Vibrations