Geometry & MOs

Info

ID:	59710
PubChem CID:	24894547
Reduced:	NOC13H16 (2)
Stoich.:	ABC13D16 (2)
Weight, g/mol:	389.057792
ΔH_f, kcal/mol:	-45.05
Dipole, Da:	3.12
IP(EA), eV:	-8.92(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-(2-ethylsulfanylcarbothioylsulfanylacetyl)benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)NC3C4CCC3N(C4)CC5=CC=CC=C5)O

DOS

IR

Vibrations