Geometry & MOs

Info

ID:

176046

PubChem CID:

75988562

Reduced:

NO4C37H59 (1)

Stoich.:

AB4C37D59 (1)

Weight, g/mol:

535.402545

ΔHf, kcal/mol:

-262.54

Dipole, Da:

2.22

IP(EA), eV:

 -9.48(0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxamide

Drug info:

PubChemData

Smile

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)NCC6CCCO6

DOS

IR

Vibrations