Geometry & MOs

Info

ID:	188006
PubChem CID:	77653316
Reduced:	ClSN5O8C31H36 (1)
Stoich.:	ABC5D8E31F36 (1)
Weight, g/mol:	218.112738
ΔH_f, kcal/mol:	-290.75
Dipole, Da:	2.66
IP(EA), eV:	-9.68(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-1,3-diazinan-4-yl)urea;urea

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCC1=NC=C2N1C(=O)N(C2)C3CCN(CC3)C(=O)C(CS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)O)NC(=O)C

DOS

IR

Vibrations