Geometry & MOs

Info

ID:	154214
PubChem CID:	56313619
Reduced:	S2N3O4C22H25 (1)
Stoich.:	A2B3C4D22E25 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-84.31
Dipole, Da:	8.49
IP(EA), eV:	-8.3(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-N-(6-methylpyridin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N(C)CC3=NC=C(C(=C3C)OC)C

DOS

IR

Vibrations