Geometry & MOs

Info

ID:

186603

PubChem CID:

77451893

Reduced:

SF3O7N8C35H43 (1)

Stoich.:

AB3C7D8E35F43 (1)

Weight, g/mol:

611.454974

ΔHf, kcal/mol:

-339.44

Dipole, Da:

12.57

IP(EA), eV:

 -9.62(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[5a,5b,8,8,11a-pentamethyl-3a-[2-(methylamino)-2-oxoethyl]-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1CC(NN1)C(=O)NC2CCCCCC=CC3CC3(NC(=O)C4CC(CN4C2=O)OC5=NC6=CC=CC=C6N=C5C(F)(F)F)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations