Geometry & MOs

Info

ID:	322904
PubChem CID:	126671558
Reduced:	NC4H7 (3)
Stoich.:	AB4C7 (3)
Weight, g/mol:	544.175356
ΔH_f, kcal/mol:	1.87
Dipole, Da:	1.05
IP(EA), eV:	-8.66(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[(2S)-2-[(6-methylpyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[3,4-d][1,3]thiazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCNC1=NC=C(C=N1)C

DOS

IR

Vibrations