Geometry & MOs

Info

ID:	219360
PubChem CID:	85147165
Reduced:	FSN2O6C17H17 (1)
Stoich.:	ABC2D6E17F17 (1)
Weight, g/mol:	394.190911
ΔH_f, kcal/mol:	-266.37
Dipole, Da:	5.66
IP(EA), eV:	-9.39(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-tert-butyl-4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-dimethoxyphosphorylpent-1-en-3-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CSC3C2NC(=O)N(C3=O)C4C(C(C(O4)CO)O)O)F

DOS

IR

Vibrations