Geometry & MOs

Info

ID:	172679
PubChem CID:	75540553
Reduced:	SN2O2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	275.043856
ΔH_f, kcal/mol:	-3.81
Dipole, Da:	4.36
IP(EA), eV:	-8.53(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylsulfanylphenyl)-3-thiophen-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC(=O)C=CC2=CSC=C2

DOS

IR

Vibrations