Geometry & MOs

Info

ID:	185391
PubChem CID:	77294454
Reduced:	BrSN2O2H19C21 (1)
Stoich.:	ABC2D2E19F21 (1)
Weight, g/mol:	544.231329
ΔH_f, kcal/mol:	141.69
Dipole, Da:	4.27
IP(EA), eV:	-8.34(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[4-[3-[1-(2-aminopropanoyl)piperidin-4-yl]-6-morpholin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]carbamate;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C2C1=NC(=O)C3=C2C=CS3)C4=CC=C(C=C4)C(C)CN.Br

DOS

IR

Vibrations