Geometry & MOs

Info

ID:	230917
PubChem CID:	87572247
Reduced:	NSiO2C25H36 (1)
Stoich.:	ABC2D25E36 (1)
Weight, g/mol:	486.139548
ΔH_f, kcal/mol:	-47.79
Dipole, Da:	4.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.136251
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopropylsulfonylphenyl)-2-(1-methylpiperidin-4-yl)oxy-N-([1,3]thiazolo[5,4-b]pyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1CO[Si])C)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2)O)C

DOS

IR

Vibrations