Geometry & MOs

Info

ID:	123114
PubChem CID:	50833912
Reduced:	SN4O4C22H22 (1)
Stoich.:	AB4C4D22E22 (1)
Weight, g/mol:	436.120526
ΔH_f, kcal/mol:	-98.46
Dipole, Da:	6.7
IP(EA), eV:	-8.51(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethoxyphenyl)methyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C(=N3)C)CC(=O)NC4=C(C=CC(=C4)OC)OC)C

DOS

IR

Vibrations