Geometry & MOs

Info

ID:	313809
PubChem CID:	126617876
Reduced:	ClNO2F3H9C14 (1)
Stoich.:	ABC2D3E9F14 (1)
Weight, g/mol:	427.308644
ΔH_f, kcal/mol:	-149.25
Dipole, Da:	4.4
IP(EA), eV:	-9.42(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8S,9S,10S,13S,14S)-1-[di(propan-2-yl)carbamoyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1C#CC(C2=C(C=CC(=C2)Cl)N=C=O)(C(F)(F)F)O

DOS

IR

Vibrations