Geometry & MOs

Info

ID:	186058
PubChem CID:	77385106
Reduced:	NO6C22H25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	521.07324
ΔH_f, kcal/mol:	-217.88
Dipole, Da:	2.73
IP(EA), eV:	-9.58(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxycyclopentyl]-methylsulfamic acid

Drug info:

PubChemData

Smile

CC(=O)NC(C(C1C(COC(O1)C2=CC=CC=C2)O)O)C(=O)CC3=CC=CC=C3

DOS

IR

Vibrations