Geometry & MOs

Info

ID:	79877
PubChem CID:	49831000
Reduced:	O3N4H26C28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	524.191583
ΔH_f, kcal/mol:	-31.8
Dipole, Da:	8.55
IP(EA), eV:	-7.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-2-butoxy-5-(2-methylbutan-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@]12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC

DOS

IR

Vibrations