Geometry & MOs

Info

ID:

125236

PubChem CID:

50916277

Reduced:

SN2O4H12C14 (1)

Stoich.:

AB2C4D12E14 (1)

Weight, g/mol:

643.444803

ΔHf, kcal/mol:

-105.87

Dipole, Da:

1.04

IP(EA), eV:

 -8.94(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[bis(2-hydroxyethyl)amino]ethyl (3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysene-3a-carboxylate

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1NC2=C(C=CN=C2C(=O)O)C(=O)O

DOS

IR

Vibrations