Geometry & MOs

Info

ID:

16288

PubChem CID:

463525

Reduced:

NO4C41H71 (1)

Stoich.:

AB4C41D71 (1)

Weight, g/mol:

641.53831

ΔHf, kcal/mol:

-305.74

Dipole, Da:

3.37

IP(EA), eV:

 -9.49(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[[(1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]undecanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC[C@]2([C@H]1C3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)NCCCCCCCCCCC(=O)O

DOS

IR

Vibrations