Geometry & MOs

Info

ID:	80049
PubChem CID:	49832464
Reduced:	ClO2N5C25H28 (1)
Stoich.:	AB2C5D25E28 (1)
Weight, g/mol:	612.16306
ΔH_f, kcal/mol:	-17.95
Dipole, Da:	5.8
IP(EA), eV:	-8.49(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-N-(6-ethylsulfonyl-1-methylindazol-5-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CNCCC12CCN(CC2)C3=NC=C(C=C3)N4C=CC(=CC4=O)OCC5=NC=C(C=C5)Cl

DOS

IR

Vibrations