Geometry & MOs

Info

ID:

59584

PubChem CID:

24875340

Reduced:

SN4O4C31H40 (1)

Stoich.:

AB4C4D31E40 (1)

Weight, g/mol:

624.202267

ΔHf, kcal/mol:

-123.56

Dipole, Da:

8.14

IP(EA), eV:

 -8.85(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol;[(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-sulfamoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] sulfamate

Drug info:

PubChemData

Smile

CCN(CC)CCN(CCNCCC1=C2C(=C(C=C1)O)NC(=O)S2)C(=O)CCOCC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations