Geometry & MOs

Info

ID:	349055
PubChem CID:	127274781
Reduced:	SO2N3C17H31 (1)
Stoich.:	AB2C3D17E31 (1)
Weight, g/mol:	397.239913
ΔH_f, kcal/mol:	-126.21
Dipole, Da:	5.12
IP(EA), eV:	-8.9(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[1-[2-(oxan-2-ylmethylsulfanyl)acetyl]piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)NC(C)CN2CCCC(C2)C

DOS

IR

Vibrations