Geometry & MOs

Info

ID:	89352
PubChem CID:	49960640
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	363.021118
ΔH_f, kcal/mol:	-43.66
Dipole, Da:	5.44
IP(EA), eV:	-8.4(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations