Geometry & MOs

Info

ID:	336302
PubChem CID:	127255309
Reduced:	SO3N4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	381.125946
ΔH_f, kcal/mol:	-47.74
Dipole, Da:	2.22
IP(EA), eV:	-8.78(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-3-one

Drug info:

PubChemData

Smile

CN1C(=C2CSCC2=N1)NC(=O)C3CC(=O)N(C3)CC4=CC=CO4

DOS

IR

Vibrations