Geometry & MOs

Info

ID:	244644
PubChem CID:	99376191
Reduced:	BrN3O3C20H26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	373.157246
ΔH_f, kcal/mol:	-131.29
Dipole, Da:	3.74
IP(EA), eV:	-9.18(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H]1CCCN(C1)C(=O)[C@H]2CCN(C2=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations