Geometry & MOs

Info

ID:	418409
PubChem CID:	135104582
Reduced:	O5N6C36H48 (1)
Stoich.:	A5B6C36D48 (1)
Weight, g/mol:	380.13184
ΔH_f, kcal/mol:	-147.48
Dipole, Da:	7.74
IP(EA), eV:	-9.21(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(4-fluorophenyl)sulfonylethylamino]pyrimidin-4-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)CC4=C(ON=C4C)C

DOS

IR

Vibrations