Geometry & MOs

Info

ID:	32915
PubChem CID:	7849411
Reduced:	NSO5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	367.145344
ΔH_f, kcal/mol:	-181.36
Dipole, Da:	8.72
IP(EA), eV:	-9.44(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)C

DOS

IR

Vibrations