Geometry & MOs

Info

ID:	186060
PubChem CID:	77385333
Reduced:	ClFO2N6C20H22 (1)
Stoich.:	ABC2D6E20F22 (1)
Weight, g/mol:	516.436258
ΔH_f, kcal/mol:	-77.17
Dipole, Da:	7.88
IP(EA), eV:	-8.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-17-(6-methylheptan-2-yl)-3-triethylsilyloxy-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-ol

Drug info:

PubChemData

Smile

C1CC(CC(C1)NC(=O)CCO)NC2=NC(=NC=C2F)C3=CNC4=C3C=C(C=N4)Cl

DOS

IR

Vibrations