Geometry & MOs

Info

ID:

1563

PubChem CID:

4697

Reduced:

NO4C27H33 (1)

Stoich.:

AB4C27D33 (1)

Weight, g/mol:

435.240959

ΔHf, kcal/mol:

-138.46

Dipole, Da:

1.38

IP(EA), eV:

 -8.06(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-one

Drug info:

PubChemData

Smile

CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)O

DOS

IR

Vibrations