Geometry & MOs

Info

ID:	325741
PubChem CID:	126684725
Reduced:	SO2F3H7C12 (1)
Stoich.:	AB2C3D7E12 (1)
Weight, g/mol:	499.257003
ΔH_f, kcal/mol:	-169.02
Dipole, Da:	1.91
IP(EA), eV:	-9.65(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[4-hydroxy-5-[2-methyl-4-[4-(2-methylpropoxy)phenyl]butanoyl]-6-oxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(F)(F)F)OC2=CC=C(S2)C=O

DOS

IR

Vibrations