Geometry & MOs

Info

ID:	32914
PubChem CID:	7849395
Reduced:	FSN2O3H19C22 (1)
Stoich.:	ABC2D3E19F22 (1)
Weight, g/mol:	403.145344
ΔH_f, kcal/mol:	-79.21
Dipole, Da:	0.83
IP(EA), eV:	-9.11(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)OCC2=CSC(=N2)N(C3=CC=CC=C3F)C(=O)C

DOS

IR

Vibrations