Geometry & MOs

Info

ID:	176977
PubChem CID:	76120583
Reduced:	FO3N7C26H26 (1)
Stoich.:	AB3C7D26E26 (1)
Weight, g/mol:	340.145678
ΔH_f, kcal/mol:	-20.39
Dipole, Da:	4.66
IP(EA), eV:	-8.65(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-methyl-7-oxonon-8-enyl) 4-methyl-6-oxo-2-sulfanylidene-1,3-diazinane-5-carboxylate

Drug info:

PubChemData

Smile

CCCC1=CN(C(=O)N1CC2=NC=C(C=C2)C3=CC=CC=C3C4NNNN4)C5=C(C=CC=C5F)C(=O)O

DOS

IR

Vibrations