Geometry & MOs

Info

ID:	174976
PubChem CID:	75840877
Reduced:	SO2N3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	327.239616
ΔH_f, kcal/mol:	-86.6
Dipole, Da:	2.79
IP(EA), eV:	-8.43(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)pyrrolidin-1-yl]-3-(oxazinan-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CCCN(C1)CC(C)NC(=O)C(C)NC(=O)C2=CC=CS2

DOS

IR

Vibrations