Geometry & MOs

Info

ID:	354592
PubChem CID:	127287209
Reduced:	SO2N3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	372.148078
ΔH_f, kcal/mol:	-43.88
Dipole, Da:	2.79
IP(EA), eV:	-9.42(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)N(CC2CCOC2)C3CC3

DOS

IR

Vibrations