Geometry & MOs

Info

ID:	32884
PubChem CID:	7849107
Reduced:	SN2O4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	403.145344
ΔH_f, kcal/mol:	-152.89
Dipole, Da:	2.42
IP(EA), eV:	-8.82(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CCCSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C[C@H](C)O

DOS

IR

Vibrations