Geometry & MOs

Info

ID:	178923
PubChem CID:	76401883
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	327.161663
ΔH_f, kcal/mol:	-35.7
Dipole, Da:	3.95
IP(EA), eV:	-8.37(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-ethylsulfanylazepan-1-yl)-2-oxoethyl]-3-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCN1CCN(C2=CC=CC=C21)C(=O)C3C(=CC(=NC3=O)C)C

DOS

IR

Vibrations