Geometry & MOs

Info

ID:	243715
PubChem CID:	99234267
Reduced:	ClN2O2C23H35 (1)
Stoich.:	AB2C2D23E35 (1)
Weight, g/mol:	397.159076
ΔH_f, kcal/mol:	-111.94
Dipole, Da:	4.17
IP(EA), eV:	-8.57(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-(5-chlorothiophen-2-yl)-N-[4-[(3R,5S)-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)C2(CCOCC2)C3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations