Geometry & MOs

Info

ID:	193211
PubChem CID:	78356772
Reduced:	ClSO4N6C26H29 (1)
Stoich.:	ABC4D6E26F29 (1)
Weight, g/mol:	264.129634
ΔH_f, kcal/mol:	-67.26
Dipole, Da:	5.52
IP(EA), eV:	-8.99(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-2-ethylsulfanyl-6-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCCCN1C2C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC4=C(S3)N(N=C4C)C5=CC=C(C=C5)Cl)CCC

DOS

IR

Vibrations