Geometry & MOs

Info

ID:

333998

PubChem CID:

127252550

Reduced:

ClNSO7C20H20 (1)

Stoich.:

ABCD7E20F20 (1)

Weight, g/mol:

551.230788

ΔHf, kcal/mol:

-224.28

Dipole, Da:

6.5

IP(EA), eV:

 -8.99(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,7-dimethyl-4-(9,10,14,15-tetramethoxy-5-methyl-5-azatetracyclo[9.8.0.02,8.012,17]nonadeca-1,6,8,10,12,14,16,18-octaen-6-yl)chromen-2-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4CS(=O)(=O)C=C4

DOS

IR

Vibrations