Geometry & MOs

Info

ID:	163258
PubChem CID:	57661926
Reduced:	SO4H14C17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	516.150112
ΔH_f, kcal/mol:	-108.71
Dipole, Da:	5.61
IP(EA), eV:	-8.67(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-cyclohexyl-2-(4-cyclopropylsulfonyl-2-oxopyridin-1-yl)-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

C1CC2(CCC1=O)CSC3=C(O2)C4=CC=CC=C4C(=O)C3=O

DOS

IR

Vibrations