Geometry & MOs

Info

ID:

48701

PubChem CID:

11528239

Reduced:

SiO2N5C75H91 (1)

Stoich.:

AB2C5D75E91 (1)

Weight, g/mol:

1192.569721

ΔHf, kcal/mol:

157.28

Dipole, Da:

2.55

IP(EA), eV:

 -7.71(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,9R)-10-[(2S,4S,6S)-4-(dimethylamino)-5-[(2S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-7-[(4S,6S)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride

Drug info:

PubChemData

Smile

CCN(CCOC(=O)C(=C)C)C1=CC=C(C=C1)C#CC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C=C5)C#C[Si](C(C)C)(C(C)C)C(C)C)C=C4)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)N3

DOS

IR

Vibrations