Geometry & MOs

Info

ID:	49690
PubChem CID:	11533556
Reduced:	ClO2N8C25H29 (1)
Stoich.:	AB2C8D25E29 (1)
Weight, g/mol:	508.08922
ΔH_f, kcal/mol:	49.86
Dipole, Da:	3.77
IP(EA), eV:	-8.5(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-bromo-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCOC2=NNC3=C2C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC=CC=N5)Cl

DOS

IR

Vibrations