Geometry & MOs

Info

ID:

189587

PubChem CID:

77876875

Reduced:

PN8O10C23H33 (1)

Stoich.:

AB8C10D23E33 (1)

Weight, g/mol:

463.366159

ΔHf, kcal/mol:

-434.89

Dipole, Da:

14.18

IP(EA), eV:

 -8.79(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-10,13-dimethyl-1-(3-methylbutylamino)-3-propoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid

Drug info:

PubChemData

Smile

C1C(=NC2C(=N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CC(CCCCN)C(=O)O)C(=O)O.OP(=O)(O)O

DOS

IR

Vibrations