Geometry & MOs

Info

ID:	68466
PubChem CID:	46508469
Reduced:	FSN2O2H25C26 (1)
Stoich.:	ABC2D2E25F26 (1)
Weight, g/mol:	418.145261
ΔH_f, kcal/mol:	-53.33
Dipole, Da:	5.97
IP(EA), eV:	-9.05(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)/C=C/C3=CC=C(S3)C4=CC=C(C=C4)F

DOS

IR

Vibrations