Geometry & MOs

Info

ID:	352548
PubChem CID:	127283636
Reduced:	SN2O3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	345.241627
ΔH_f, kcal/mol:	-118.84
Dipole, Da:	6.85
IP(EA), eV:	-9.51(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-adamantyl)-3-[3-(4-methylidenepiperidin-1-yl)-3-oxopropyl]urea

Drug info:

PubChemData

Smile

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCC(=C)CC3

DOS

IR

Vibrations