Geometry & MOs

Info

ID:	195404
PubChem CID:	78682307
Reduced:	ClSO6H17C18 (1)
Stoich.:	ABC6D17E18 (1)
Weight, g/mol:	385.134779
ΔH_f, kcal/mol:	-162.68
Dipole, Da:	3.92
IP(EA), eV:	-8.22(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-(3-methylthiophen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C=CC(=O)OCC(=O)C2=CC=C(S2)Cl)OC)OC

DOS

IR

Vibrations