Geometry & MOs

Info

ID:	163021
PubChem CID:	57581401
Reduced:	NF3O3H14C19 (1)
Stoich.:	AB3C3D14E19 (1)
Weight, g/mol:	343.1606
ΔH_f, kcal/mol:	-222.64
Dipole, Da:	5.82
IP(EA), eV:	-9.16(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-5-(cyclohexylmethyl)-4-phenylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(N1C2=CC=C(C=C2)OC(F)(F)F)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations