Geometry & MOs

Info

ID:

296741

PubChem CID:

117591253

Reduced:

NO6C37H41 (1)

Stoich.:

AB6C37D41 (1)

Weight, g/mol:

625.231182

ΔHf, kcal/mol:

-75.16

Dipole, Da:

13.89

IP(EA), eV:

 -7.87(-2.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16,17-dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one;phenyl 4-amino-2-hydroxybenzoate

Drug info:

PubChemData

Smile

CC1=CCC2=C(C=C3C(=C2O)C(=O)C=C(O3)C)OC1.CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5

DOS

IR

Vibrations