Geometry & MOs

Info

ID:	366549
PubChem CID:	127320065
Reduced:	SN4O5C15H20 (1)
Stoich.:	AB4C5D15E20 (1)
Weight, g/mol:	389.279075
ΔH_f, kcal/mol:	-113.87
Dipole, Da:	5.28
IP(EA), eV:	-9.24(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

DOS

IR

Vibrations