Geometry & MOs

Info

ID:

82769

PubChem CID:

49856493

Reduced:

N2O13C58H66 (1)

Stoich.:

A2B13C58D66 (1)

Weight, g/mol:

718.382931

ΔHf, kcal/mol:

-445.95

Dipole, Da:

3.24

IP(EA), eV:

 -8.15(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(E)-but-2-en-2-yl]-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-7,12-dimethoxy-5-methylnaphtho[2,3-h]chromen-4-one

Drug info:

PubChemData

Smile

C/C=C(\C)/C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=C4C(=CC(=C(C4=C3OC)OC(=O)C)[C@@H]5C[C@]([C@@H]([C@@H](O5)C)OC(=O)C)(C)NC(=O)OCC6=CC=CC=C6)[C@H]7C[C@H]([C@@H]([C@H](O7)C)OCC8=CC=CC=C8)N(C)C)OC

DOS

IR

Vibrations