Geometry & MOs

Info

ID:	145188
PubChem CID:	53475542
Reduced:	O3C20H20 (1)
Stoich.:	A3B20C20 (1)
Weight, g/mol:	464.174293
ΔH_f, kcal/mol:	-65.71
Dipole, Da:	3.26
IP(EA), eV:	-8.02(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[(4,5-dimethyl-2-pyridin-2-ylpyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1(C2C(=CC3=CC(=C(C=C23)OC)OC)C4=CC=CC=C4O1)C

DOS

IR

Vibrations