Geometry & MOs

Info

ID:	244657
PubChem CID:	99376274
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	415.133255
ΔH_f, kcal/mol:	-73.23
Dipole, Da:	4.19
IP(EA), eV:	-8.9(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[2-(3-chloro-N-methylsulfonylanilino)acetyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@H]1CCCN(C1)C(=O)CCC2=C(N3C(=CC(=N3)C)N=C2C)C

DOS

IR

Vibrations