Geometry & MOs

Info

ID:	183406
PubChem CID:	77019175
Reduced:	ClO2N4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	311.141596
ΔH_f, kcal/mol:	-70.58
Dipole, Da:	4.31
IP(EA), eV:	-8.38(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCNC1=NC(=C(C=C1)Cl)CN2C(=O)CCN(C2=O)C

DOS

IR

Vibrations