Geometry & MOs

Info

ID:	438849
PubChem CID:	135228607
Reduced:	SO4N5C27H31 (1)
Stoich.:	AB4C5D27E31 (1)
Weight, g/mol:	319.23
ΔH_f, kcal/mol:	-84.34
Dipole, Da:	5.62
IP(EA), eV:	-9.04(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-2-[2-[4-(2-methylphenyl)pent-4-en-2-yl]cyclohexa-1,5-dien-1-yl]prop-1-enyl]ethanimine

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CCC3=CC=CC=C3OC)C(C)(C)C(=O)N4CCCC4)N5C=CC=N5

DOS

IR

Vibrations