Geometry & MOs

Info

ID:	356838
PubChem CID:	127292378
Reduced:	OSN5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	361.214761
ΔH_f, kcal/mol:	3.99
Dipole, Da:	0.85
IP(EA), eV:	-9.36(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(1-methylsulfonylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CNC(=O)N2CCCCC2C3=NC=CN3

DOS

IR

Vibrations