Geometry & MOs

Info

ID:	32885
PubChem CID:	7849108
Reduced:	NSO5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	328.072907
ΔH_f, kcal/mol:	-197.49
Dipole, Da:	5.35
IP(EA), eV:	-9.24(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@H](C)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C)C

DOS

IR

Vibrations