Geometry & MOs

Info

ID:	244000
PubChem CID:	99309167
Reduced:	ClSN2O3C20H29 (1)
Stoich.:	ABC2D3E20F29 (1)
Weight, g/mol:	400.272593
ΔH_f, kcal/mol:	-134.15
Dipole, Da:	2.41
IP(EA), eV:	-8.72(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-ethoxy-4-methoxyphenyl)-1-[(3R)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C[C@@H]2CCCN(C2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)C

DOS

IR

Vibrations