Geometry & MOs

Info

ID:	30057
PubChem CID:	839379
Reduced:	NSCl2O3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	315.092915
ΔH_f, kcal/mol:	-122.74
Dipole, Da:	7.37
IP(EA), eV:	-9.78(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2-benzylsulfanylacetyl)amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1Cl)S(=O)(=O)NC[C@@H]2CCCO2)Cl

DOS

IR

Vibrations