Geometry & MOs

Info

ID:	357192
PubChem CID:	127293696
Reduced:	SN2O3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	353.279075
ΔH_f, kcal/mol:	-93.34
Dipole, Da:	8.86
IP(EA), eV:	-9.06(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC4=CC=CC=C4C3

DOS

IR

Vibrations