Geometry & MOs

Info

ID:	145182
PubChem CID:	53475080
Reduced:	ClFIN2H11C16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	265.11365
ΔH_f, kcal/mol:	47.76
Dipole, Da:	2.74
IP(EA), eV:	-9.21(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(prop-2-enylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C=NN2C3=CC(=C(C=C3)F)Cl)I

DOS

IR

Vibrations