Geometry & MOs

Info

ID:	346798
PubChem CID:	127271302
Reduced:	SO2N3C19H31 (1)
Stoich.:	AB2C3D19E31 (1)
Weight, g/mol:	393.256232
ΔH_f, kcal/mol:	-102.46
Dipole, Da:	4.8
IP(EA), eV:	-9.19(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CCNC(=O)N2CCC(CC2)OC3CCCC3

DOS

IR

Vibrations