Geometry & MOs

Info

ID:

173603

PubChem CID:

75660162

Reduced:

ClON2C22H32 (1)

Stoich.:

ABC2D22E32 (1)

Weight, g/mol:

261.114713

ΔHf, kcal/mol:

-34.89

Dipole, Da:

6.19

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758744

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diethyl-2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C[NH+]2CCCC(C2)CN3CCCC3=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations