Geometry & MOs

Info

ID:	178120
PubChem CID:	76280530
Reduced:	SN4O5C18H30 (1)
Stoich.:	AB4C5D18E30 (1)
Weight, g/mol:	425.228771
ΔH_f, kcal/mol:	-233.9
Dipole, Da:	8.74
IP(EA), eV:	-8.89(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-ethyl-N-(6-methoxy-2-methylpyridin-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(CC1S(=O)(=O)N3CCC(CC3)CN4CCOCC4)C(=O)NC(=O)N2

DOS

IR

Vibrations