Geometry & MOs

Info

ID:	168538
PubChem CID:	74984152
Reduced:	FSN4O4C27H39 (1)
Stoich.:	ABC4D4E27F39 (1)
Weight, g/mol:	505.22868
ΔH_f, kcal/mol:	-213.95
Dipole, Da:	4.92
IP(EA), eV:	-9.41(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-acetyl-6-(4-isothiocyanatophenyl)-6,9,13-trimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCC(CC1)CCF)NS(=O)(=O)C2=C(C=CN=C2)NC(CC3=CC=CC=C3)CO

DOS

IR

Vibrations