Geometry & MOs

Info

ID:	432530
PubChem CID:	135172663
Reduced:	N4C9H18 (1)
Stoich.:	A4B9C18 (1)
Weight, g/mol:	592.192886
ΔH_f, kcal/mol:	10.02
Dipole, Da:	3.59
IP(EA), eV:	-8.23(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(sulfanylmethyl)prop-2-enoyloxy]-5-[4-[4-(5,5,5-trifluoropentyl)cyclohexyl]phenyl]phenyl] 2-(sulfanylmethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCNC1=C(NC=NC1N)C

DOS

IR

Vibrations