Geometry & MOs

Info

ID:	196685
PubChem CID:	78864138
Reduced:	SO3N4C22H28 (1)
Stoich.:	AB3C4D22E28 (1)
Weight, g/mol:	447.151824
ΔH_f, kcal/mol:	7.18
Dipole, Da:	4.61
IP(EA), eV:	-8.14(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCCNC(=O)/C=C/C2=CC=C(S2)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations