Geometry & MOs

Info

ID:	383363
PubChem CID:	134975048
Reduced:	INF3O3H15C18 (1)
Stoich.:	ABC3D3E15F18 (1)
Weight, g/mol:	376.297745
ΔH_f, kcal/mol:	-195.46
Dipole, Da:	6.21
IP(EA), eV:	-9.29(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5R,10S,13R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C(=C1)I)NC(=O)C(F)(F)F)C#CC2=CCCCC2

DOS

IR

Vibrations