Geometry & MOs

Info

ID:	277486
PubChem CID:	103828908
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	213.184112
ΔH_f, kcal/mol:	-48.76
Dipole, Da:	7.24
IP(EA), eV:	-9.76(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R,2R)-2-aminocyclohexyl]-1,1-diethylurea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#N)S(=O)(=O)N[C@@H]2CCCC[C@H]2N

DOS

IR

Vibrations