Geometry & MOs

Info

ID:	219426
PubChem CID:	85148645
Reduced:	NOSH12C15 (2)
Stoich.:	ABCD12E15 (2)
Weight, g/mol:	506.285236
ΔH_f, kcal/mol:	39.89
Dipole, Da:	5.72
IP(EA), eV:	-8.63(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3'-[tert-butyl(diphenyl)silyl]oxy-3'a-methylspiro[1,3-dioxolane-2,6'-3,4,5,7-tetrahydro-2H-indene]-1'-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)SC2C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations