Geometry & MOs

Info

ID:	34085
PubChem CID:	7889754
Reduced:	SN2O3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	411.04627
ΔH_f, kcal/mol:	-27.08
Dipole, Da:	3.85
IP(EA), eV:	-8.87(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenyl)sulfanylacetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=NC=C3

DOS

IR

Vibrations