Geometry & MOs

Info

ID:	218279
PubChem CID:	85089121
Reduced:	SN2O2C27H28 (1)
Stoich.:	AB2C2D27E28 (1)
Weight, g/mol:	444.32396
ΔH_f, kcal/mol:	-13.63
Dipole, Da:	6.3
IP(EA), eV:	-8.49(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[17-[1-(3-hydroxy-3-methylbutoxy)ethyl]-10,13-dimethyl-4,7,8,9,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC4=C3CC(CC4)NC(C)C5=CC=CC=C5

DOS

IR

Vibrations