Geometry & MOs

Info

ID:	404754
PubChem CID:	135070519
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	55.83
Dipole, Da:	7.78
IP(EA), eV:	-9.58(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-(hydroxymethyl)-3-phenylbut-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[C@@H]2CN=N[C@]2(CC3=CC=CC=C3)[N+]#[C-]

DOS

IR

Vibrations