Geometry & MOs

Info

ID:

40184

PubChem CID:

8143706

Reduced:

ClSN4C14H18 (1)

Stoich.:

ABC4D14E18 (1)

Weight, g/mol:

415.251129

ΔHf, kcal/mol:

83.59

Dipole, Da:

5.3

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755257

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-3,5-ditert-butyl-4-hydroxy-N-phenylbenzamide

Drug info:

PubChemData

Smile

CN1C(=NN(C1=S)C[NH+]2CCCC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations