Geometry & MOs

Info

ID:	306695
PubChem CID:	125165355
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	296.129156
ΔH_f, kcal/mol:	-94.45
Dipole, Da:	5.11
IP(EA), eV:	-8.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4,6-dimethylphenyl)-3-[[(3S)-oxan-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CN(CCC1CC(=O)N[C@H]2CS(=O)(=O)C=C2)CC3=CC=CC=C3

DOS

IR

Vibrations