Geometry & MOs

Info

ID:	403061
PubChem CID:	135058566
Reduced:	SO3C19H20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	365.14495
ΔH_f, kcal/mol:	-74.94
Dipole, Da:	0.38
IP(EA), eV:	-8.48(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (E)-3-[4-cyano-2-[(4-methylphenyl)sulfanylmethyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC2=C(C=C(C=C2)OC)/C=C/C(=O)OC

DOS

IR

Vibrations