Geometry & MOs

Info

ID:	179750
PubChem CID:	76526147
Reduced:	O4C11H15 (2)
Stoich.:	A4B11C15 (2)
Weight, g/mol:	419.173959
ΔH_f, kcal/mol:	-350.28
Dipole, Da:	7.37
IP(EA), eV:	-10.32(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)OC1CC2(CO2)C3(CCC4(O3)CC(OC4)O)C56C1C(CCC5)(C(=O)OC6)C

DOS

IR

Vibrations