Geometry & MOs

Info

ID:	269906
PubChem CID:	103619626
Reduced:	ClSN2O3C12H19 (1)
Stoich.:	ABC2D3E12F19 (1)
Weight, g/mol:	208.132411
ΔH_f, kcal/mol:	-119.43
Dipole, Da:	6.88
IP(EA), eV:	-9.31(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-(pyrimidin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCCNCC(C1=CC=CC=C1Cl)O

DOS

IR

Vibrations