Geometry & MOs

Info

ID:

82947

PubChem CID:

49856863

Reduced:

OPSN3C26H26 (1)

Stoich.:

ABCD3E26F26 (1)

Weight, g/mol:

688.335981

ΔHf, kcal/mol:

-21.19

Dipole, Da:

4.17

IP(EA), eV:

 -8.51(-0.85)

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-5-methylnaphtho[2,3-h]chromene-4,7,12-trione

Drug info:

PubChemData

Smile

CN1C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)N(P1(=S)N6CCOCC6)C

DOS

IR

Vibrations