Geometry & MOs

Info

ID:	34099
PubChem CID:	7889804
Reduced:	NSCl2O3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	397.03062
ΔH_f, kcal/mol:	-112.62
Dipole, Da:	6.06
IP(EA), eV:	-9.1(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations