Geometry & MOs

Info

ID:	309353
PubChem CID:	126545605
Reduced:	OCl4N5H17C19 (1)
Stoich.:	AB4C5D17E19 (1)
Weight, g/mol:	256.07693
ΔH_f, kcal/mol:	32.1
Dipole, Da:	6.34
IP(EA), eV:	-9.13(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-methyl-2-methylsulfonylpropanoate

Drug info:

PubChemData

Smile

CC(C)NCC1=C(C(=CC(=C1)Cl)Cl)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Cl

DOS

IR

Vibrations