Geometry & MOs

Info

ID:

7632

PubChem CID:

73567

Reduced:

N2O20C55H88 (1)

Stoich.:

A2B20C55D88 (1)

Weight, g/mol:

1096.593043

ΔHf, kcal/mol:

-954.78

Dipole, Da:

3.8

IP(EA), eV:

 -8.75(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-[3-acetamido-4,5-dihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-[[4,4,10,13-tetramethyl-17-(6-methyl-4-oxohept-5-en-2-yl)-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(CC(=O)C=C(C)C)C1CCC2C1(CCC3=C2CCC4C3(CCC(C4(C)C)OC5C(C(C(CO5)OC6C(C(C(C(O6)CO)O)O)NC(=O)C)O)OC7C(C(C(C(O7)COC8C(C(C(CO8)O)O)O)O)O)NC(=O)C)C)C

DOS

IR

Vibrations