Geometry & MOs

Info

ID:	132788
PubChem CID:	51421035
Reduced:	ClON6C16H29 (1)
Stoich.:	ABC6D16E29 (1)
Weight, g/mol:	366.971094
ΔH_f, kcal/mol:	-33.41
Dipole, Da:	3.22
IP(EA), eV:	-9.1(0.62)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(benzoylcarbamothioylamino)-3,5-dichlorobenzoate

Drug info:

PubChemData

Smile

C1CCC(C(C1)CN2C3C(C(=O)NC(N3)C4CCNCC4)NN2)Cl

DOS

IR

Vibrations