Geometry & MOs

Info

ID:	176842
PubChem CID:	76104526
Reduced:	NSO3F4C8H11 (1)
Stoich.:	ABC3D4E8F11 (1)
Weight, g/mol:	416.256274
ΔH_f, kcal/mol:	-346.02
Dipole, Da:	2.74
IP(EA), eV:	-9.67(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-methyl-17-(3-methyldioxolan-3-yl)spiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,3'-dioxolane]-10-carbaldehyde

Drug info:

PubChemData

Smile

CC(=O)NC(CSC(C(F)F)(F)F)C(=O)OC

DOS

IR

Vibrations