Geometry & MOs

Info

ID:	136712
PubChem CID:	52088159
Reduced:	SN3O4C26H31 (1)
Stoich.:	AB3C4D26E31 (1)
Weight, g/mol:	415.169605
ΔH_f, kcal/mol:	-105.36
Dipole, Da:	9.02
IP(EA), eV:	-8.38(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CN=C(O2)CCC(=O)N(CC3=CC=C(C=C3)N(C)C)[C@H]4CCS(=O)(=O)C4

DOS

IR

Vibrations