Geometry & MOs

Info

ID:	31882
PubChem CID:	3722559
Reduced:	SO2N3H17C23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	500.134068
ΔH_f, kcal/mol:	41.12
Dipole, Da:	3.38
IP(EA), eV:	-8.42(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=N1)SCC(=O)NC3=CC=CC4=CC=CC=C43)OC5=CC=CC=C52

DOS

IR

Vibrations