Geometry & MOs

Info

ID:	184122
PubChem CID:	77113314
Reduced:	ClOSN3C14H14 (1)
Stoich.:	ABCD3E14F14 (1)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	18.47
Dipole, Da:	6.77
IP(EA), eV:	-8.56(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=C1C(=NC(=NC1=O)CSC2=CC=CC=C2Cl)N)C

DOS

IR

Vibrations