Geometry & MOs

Info

ID:	370339
PubChem CID:	127338111
Reduced:	SN3O5C17H31 (1)
Stoich.:	AB3C5D17E31 (1)
Weight, g/mol:	389.198442
ΔH_f, kcal/mol:	-230.93
Dipole, Da:	6.14
IP(EA), eV:	-9.71(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxycyclohexyl)-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC(CNC(=O)NC1CCN(CC1)S(=O)(=O)C2CCOCC2)(C3CC3)O

DOS

IR

Vibrations