Geometry & MOs

Info

ID:

186687

PubChem CID:

77467517

Reduced:

IF3N3O3H25C26 (1)

Stoich.:

AB3C3D3E25F26 (1)

Weight, g/mol:

685.518243

ΔHf, kcal/mol:

-186.97

Dipole, Da:

7.31

IP(EA), eV:

 -9.19(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3a-[5-(dimethylamino)pentylcarbamoylamino]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1CC(CC(C1)I)C2=C(C=NC=C2)NC(=O)C3=NC(=C(C=C3)F)C4=C(C=C(C=C4F)OCCO)F

DOS

IR

Vibrations