Geometry & MOs

Info

ID:	223608
PubChem CID:	85335303
Reduced:	N2O2F3C26H33 (1)
Stoich.:	A2B2C3D26E33 (1)
Weight, g/mol:	458.155866
ΔH_f, kcal/mol:	-254.52
Dipole, Da:	3.78
IP(EA), eV:	-9.03(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-amino-5-(5-methylpyrazolidin-3-yl)quinazolin-2-yl]sulfanylphenyl]propane-2-sulfonamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C3CC(CCC3NC2=O)CN4CCC(=CC4)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations