Geometry & MOs

Info

ID:	229814
PubChem CID:	87569169
Reduced:	O2N3F6H23C27 (1)
Stoich.:	A2B3C6D23E27 (1)
Weight, g/mol:	206.076536
ΔH_f, kcal/mol:	-324.59
Dipole, Da:	7.52
IP(EA), eV:	-8.37(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-phenyl (E)-2-methylpent-2-enethioate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNC(=O)C2C3=CC=CC=C3C(=O)N2CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations