Geometry & MOs

Info

ID:	38604
PubChem CID:	8137214
Reduced:	ClNSO3C19H20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	377.085242
ΔH_f, kcal/mol:	-93.22
Dipole, Da:	4.4
IP(EA), eV:	-8.92(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)C)OC(=O)C1=CC=C(C=C1)CSC2=CC=C(C=C2)Cl

DOS

IR

Vibrations