Geometry & MOs

Info

ID:	362313
PubChem CID:	127307342
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	347.199111
ΔH_f, kcal/mol:	-108.66
Dipole, Da:	4.52
IP(EA), eV:	-8.86(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(1-methylsulfonylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C(=O)NC2CCCN(C2)S(=O)(=O)C)CC3=CC=CC=C3

DOS

IR

Vibrations