Geometry & MOs

Info

ID:	214536
PubChem CID:	85083164
Reduced:	BN4O10C24H31 (1)
Stoich.:	AB4C10D24E31 (1)
Weight, g/mol:	546.02831
ΔH_f, kcal/mol:	-451.11
Dipole, Da:	6.35
IP(EA), eV:	-9.17(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-bis[4-(2,4-dichlorophenoxy)but-2-enyl]-3-prop-2-enylthiourea

Drug info:

PubChemData

Smile

B(OCC1C(=O)CC(O1)C2=NN(C3=C2N=CN=C3OC4CCCCO4)C5CCCCO5)(OC(=O)C)OC(=O)C

DOS

IR

Vibrations