Geometry & MOs

Info

ID:	333130
PubChem CID:	127251678
Reduced:	SO2N5C23H27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	437.279075
ΔH_f, kcal/mol:	0.86
Dipole, Da:	2.99
IP(EA), eV:	-9.19(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethylpiperidin-4-yl)-1-[2-[6-methyl-4-[(6-methylpyridin-2-yl)amino]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)(C)C(=O)N2CCOC(C2)C3=NC(=CC(=C3)NC4=NN=CS4)C

DOS

IR

Vibrations