Geometry & MOs

Info

ID:	60287
PubChem CID:	26676108
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	431.002881
ΔH_f, kcal/mol:	-72.26
Dipole, Da:	4.64
IP(EA), eV:	-8.7(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chlorophenyl)ethyl]-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]thiourea

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=N\OCC(=O)NC2=CC(=CC=C2)OC

DOS

IR

Vibrations