Geometry & MOs

Info

ID:	359510
PubChem CID:	127298784
Reduced:	SO2N5C17H27 (1)
Stoich.:	AB2C5D17E27 (1)
Weight, g/mol:	373.193632
ΔH_f, kcal/mol:	-60.57
Dipole, Da:	4.01
IP(EA), eV:	-8.61(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)CN2CCCC2C(=O)N3CCSCC3

DOS

IR

Vibrations