Geometry & MOs

Info

ID:	345990
PubChem CID:	127270307
Reduced:	O2S2N5C14H21 (1)
Stoich.:	A2B2C5D14E21 (1)
Weight, g/mol:	299.166748
ΔH_f, kcal/mol:	-44.17
Dipole, Da:	5.56
IP(EA), eV:	-8.93(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dimethyl-3-[4-(thiomorpholine-4-carbonyl)cyclohexyl]urea

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)NC3=NN=CS3

DOS

IR

Vibrations