Geometry & MOs

Info

ID:	301908
PubChem CID:	123100112
Reduced:	ClSN2O3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	283.087829
ΔH_f, kcal/mol:	-117.15
Dipole, Da:	3.21
IP(EA), eV:	-9.4(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[(2-amino-2-oxoethyl)sulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)C(C)S(=O)CC(=O)N

DOS

IR

Vibrations