Geometry & MOs

Info

ID:	32916
PubChem CID:	7849412
Reduced:	NSO5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	403.108959
ΔH_f, kcal/mol:	-224.76
Dipole, Da:	4.69
IP(EA), eV:	-9.82(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

DOS

IR

Vibrations