Geometry & MOs

Info

ID:	146899
PubChem CID:	53768704
Reduced:	NC28H45 (1)
Stoich.:	AB28C45 (1)
Weight, g/mol:	327.015449
ΔH_f, kcal/mol:	-13.28
Dipole, Da:	5.45
IP(EA), eV:	-9.59(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chloro-2-methylphenyl)disulfanyl]-1-prop-2-enoxy-1-prop-2-ynoxymethanimine

Drug info:

PubChemData

Smile

CCCCCCCC1CCC(CC1)C=CC2CCC(CC2)CCC=CC=CC#N

DOS

IR

Vibrations