Geometry & MOs

Info

ID:	349249
PubChem CID:	127274975
Reduced:	SO2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	387.147744
ΔH_f, kcal/mol:	35.92
Dipole, Da:	4.89
IP(EA), eV:	-9.22(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-oxo-2-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C=C(C=N2)C(=O)N3CCCN(CC3)CC4=CSC=N4

DOS

IR

Vibrations