Geometry & MOs

Info

ID:

59140

PubChem CID:

24771181

Reduced:

NO3C12H15 (1)

Stoich.:

AB3C12D15 (1)

Weight, g/mol:

553.150345

ΔHf, kcal/mol:

-108.79

Dipole, Da:

1.71

IP(EA), eV:

 -8.87(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-chloro-19,21,22,26-tetrahydroxy-15-methoxy-6-methyl-7-propyl-17-oxa-6-azahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),4(9),7,12,15,18(23),25-octaene-3,10-dione

Drug info:

PubChemData

Smile

CC(C)NC(=O)/C=C/C1=CC(=C(C=C1)O)O

DOS

IR

Vibrations