Geometry & MOs

Info

ID:	32888
PubChem CID:	7849165
Reduced:	ClNSO5C18H18 (1)
Stoich.:	ABCD5E18F18 (1)
Weight, g/mol:	401.129694
ΔH_f, kcal/mol:	-185.42
Dipole, Da:	9.19
IP(EA), eV:	-9.09(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)C

DOS

IR

Vibrations