Geometry & MOs

Info

ID:	84764
PubChem CID:	49869752
Reduced:	OSN4C10H10 (1)
Stoich.:	ABC4D10E10 (1)
Weight, g/mol:	506.173625
ΔH_f, kcal/mol:	54.32
Dipole, Da:	7.35
IP(EA), eV:	-9.69(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NSC=C1C(=O)N(C)C2=CN=NC=C2

DOS

IR

Vibrations