Geometry & MOs

Info

ID:	242942
PubChem CID:	99214401
Reduced:	S2N3O4C21H27 (1)
Stoich.:	A2B3C4D21E27 (1)
Weight, g/mol:	445.127169
ΔH_f, kcal/mol:	-133.86
Dipole, Da:	4.87
IP(EA), eV:	-9.54(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)NC(=O)C3=CSC=C3

DOS

IR

Vibrations