Geometry & MOs

Info

ID:	244668
PubChem CID:	99376315
Reduced:	SN3O7C22H25 (1)
Stoich.:	AB3C7D22E25 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-180.0
Dipole, Da:	3.94
IP(EA), eV:	-9.3(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3S)-1-[(3R)-3-(butanoylamino)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations