Geometry & MOs

Info

ID:	181535
PubChem CID:	76757995
Reduced:	O2N9H23C24 (1)
Stoich.:	A2B9C23D24 (1)
Weight, g/mol:	467.137573
ΔH_f, kcal/mol:	96.28
Dipole, Da:	6.99
IP(EA), eV:	-8.72(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[7-(cyclopropylamino)-3-[(2,5-dioxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC=CC=C2CNC3=NC4=C(C=NN4C(=N3)NC5CC5)C=C6CC(=O)NC6=O

DOS

IR

Vibrations