Geometry & MOs

Info

ID:

441028

PubChem CID:

135232768

Reduced:

SN2O2C31H32 (1)

Stoich.:

AB2C2D31E32 (1)

Weight, g/mol:

463.23904

ΔHf, kcal/mol:

77.14

Dipole, Da:

3.94

IP(EA), eV:

 -8.4(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-tert-butyl-2-[5-(2-chloro-6-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-[(3Z,5Z)-hepta-3,5-dien-2-yl]phenyl]ethanamine

Drug info:

PubChemData

Smile

CC/C=C(/C)\C(=C(\C)/C=S)\C1=N/C(=C\2/C=C(C=C(C2=O)C3=CC=CC4=CC=CC=C43)C(C)(C)C)/NO1

DOS

IR

Vibrations