Geometry & MOs

Info

ID:

82663

PubChem CID:

49856300

Reduced:

NSiO8C50H67 (1)

Stoich.:

ABC8D50E67 (1)

Weight, g/mol:

637.303953

ΔHf, kcal/mol:

-259.35

Dipole, Da:

5.66

IP(EA), eV:

 -7.89(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(E)-but-2-en-2-yl]-8-[(2R,4R,5S,6R)-4-(dimethylamino)-6-methyl-5-phenylmethoxyoxan-2-yl]-11-hydroxy-7,12-dimethoxy-5-methylnaphtho[2,3-h]chromen-4-one

Drug info:

PubChemData

Smile

C/C=C(\C)/C#CC(=O)C1=C(C2=C(C3=C(C=CC(=C3C(=C2C=C1C)OC)[C@H]4C[C@H]([C@@H]([C@H](O4)C)OCC5=CC=CC=C5)N(C)C)O[Si](C(C)C)(C(C)C)C(C)C)OC)OCOC

DOS

IR

Vibrations