Geometry & MOs

Info

ID:	68444
PubChem CID:	46508420
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	418.146347
ΔH_f, kcal/mol:	-128.35
Dipole, Da:	4.47
IP(EA), eV:	-9.51(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

furan-2-yl-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN(CC(=O)NC(C)C)S(=O)(=O)CC1=CC=CC=C1

DOS

IR

Vibrations