Geometry & MOs

Info

ID:	61355
PubChem CID:	26708524
Reduced:	FO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	387.125277
ΔH_f, kcal/mol:	-84.11
Dipole, Da:	5.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758303
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-diethoxyphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)F)C

DOS

IR

Vibrations