Geometry & MOs

Info

ID:	49551
PubChem CID:	11533222
Reduced:	SN3O4H25C27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	488.159529
ΔH_f, kcal/mol:	-43.25
Dipole, Da:	4.61
IP(EA), eV:	-8.78(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[2-(dimethylamino)ethylamino]-1,3,4-oxadiazol-2-yl]-1-ethyl-3-fluoro-4-[2-fluoro-4-(trifluoromethoxy)anilino]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=C(S3)C#C)N4CCOCC4=O

DOS

IR

Vibrations