Geometry & MOs

Info

ID:	227327
PubChem CID:	87561302
Reduced:	ClFSN4O4C21H22 (1)
Stoich.:	ABCD4E4F21G22 (1)
Weight, g/mol:	344.121545
ΔH_f, kcal/mol:	-129.26
Dipole, Da:	5.0
IP(EA), eV:	-9.78(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl]-2,2-difluoroethanamine

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=NN(C(=C1)S(=O)(=O)C2=CN=C(C=C2)Cl)C3=CC=CC=C3F)OC(=O)NC

DOS

IR

Vibrations