Geometry & MOs

Info

ID:	33108
PubChem CID:	7851400
Reduced:	SN2O5C17H24 (1)
Stoich.:	AB2C5D17E24 (1)
Weight, g/mol:	275.011599
ΔH_f, kcal/mol:	-211.45
Dipole, Da:	5.54
IP(EA), eV:	-9.01(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dichloroanilino)-2-oxoethyl] propanoate

Drug info:

PubChemData

Smile

CCC(=O)OCC(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCC2

DOS

IR

Vibrations