Geometry & MOs

Info

ID:	434266
PubChem CID:	135174563
Reduced:	NSO5C10H15 (1)
Stoich.:	ABC5D10E15 (1)
Weight, g/mol:	561.473024
ΔH_f, kcal/mol:	-184.95
Dipole, Da:	8.77
IP(EA), eV:	-10.01(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[1-[2-[4-[[methyl-[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1[C@H]2[C@](C(=O)N2)(S(=O)(=O)C1=O)[C@H](C(C)C)O

DOS

IR

Vibrations