Geometry & MOs

Info

ID:	349700
PubChem CID:	127275852
Reduced:	O2S2N3C18H21 (1)
Stoich.:	A2B2C3D18E21 (1)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	-24.53
Dipole, Da:	4.98
IP(EA), eV:	-8.52(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CN(C2CCSC2)C(=O)C3=CN=C(S3)C4=CC=CC=N4

DOS

IR

Vibrations