Geometry & MOs

Info

ID:	196993
PubChem CID:	78906611
Reduced:	N2O2F3H11C12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	281.108565
ΔH_f, kcal/mol:	-190.54
Dipole, Da:	5.86
IP(EA), eV:	-9.22(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(but-2-enoylamino)-4-ethyl-5-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC=CC(=O)NCC(=O)NC1=C(C(=C(C=C1)F)F)F

DOS

IR

Vibrations