Geometry & MOs

Info

ID:	32906
PubChem CID:	7849354
Reduced:	NSO5H19C20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	412.079216
ΔH_f, kcal/mol:	-157.04
Dipole, Da:	7.87
IP(EA), eV:	-9.01(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C

DOS

IR

Vibrations