Geometry & MOs

Info

ID:	245151
PubChem CID:	99437704
Reduced:	SN4O4C23H30 (1)
Stoich.:	AB4C4D23E30 (1)
Weight, g/mol:	390.145868
ΔH_f, kcal/mol:	-140.91
Dipole, Da:	5.0
IP(EA), eV:	-8.45(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[[4-[[2-(5-chloro-3-methyl-1,2-oxazol-4-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)CN3CCC[C@H](C3)C(=O)N

DOS

IR

Vibrations