Geometry & MOs

Info

ID:	339572
PubChem CID:	127261562
Reduced:	ON2C6H13 (2)
Stoich.:	AB2C6D13 (2)
Weight, g/mol:	414.118418
ΔH_f, kcal/mol:	-103.52
Dipole, Da:	0.58
IP(EA), eV:	-8.61(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-bis(phenylcarbamothioyl)hexanediamide

Drug info:

PubChemData

Smile

CN(C)CN(CN(C)C)C(=O)CCCCC(=O)N

DOS

IR

Vibrations