Geometry & MOs

Info

ID:	189609
PubChem CID:	77880077
Reduced:	BrO6C28H49 (1)
Stoich.:	AB6C28D49 (1)
Weight, g/mol:	420.279508
ΔH_f, kcal/mol:	-351.83
Dipole, Da:	4.55
IP(EA), eV:	-10.33(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-chloro-4-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentyl] acetate

Drug info:

PubChemData

Smile

CCCCCC(C=CC1C2CC(OC2CC1O)C(CCCC(=O)OCCCCCCCCO)Br)O

DOS

IR

Vibrations