Geometry & MOs

Info

ID:	243716
PubChem CID:	99234268
Reduced:	ClSO2N3C19H28 (1)
Stoich.:	ABC2D3E19F28 (1)
Weight, g/mol:	397.159076
ΔH_f, kcal/mol:	-44.94
Dipole, Da:	1.88
IP(EA), eV:	-8.6(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-(5-chlorothiophen-2-yl)-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]butyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)CCCCNC(=O)[C@@H]2CC(=NO2)C3=CC=C(S3)Cl)C

DOS

IR

Vibrations