Geometry & MOs

Info

ID:	163016
PubChem CID:	57581378
Reduced:	N3O4H27C28 (1)
Stoich.:	A3B4C27D28 (1)
Weight, g/mol:	337.11365
ΔH_f, kcal/mol:	-61.74
Dipole, Da:	5.56
IP(EA), eV:	-8.83(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-5-benzyl-4-phenylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=NC3=CC=CC=C3C(=C2)C4=CC=NC=C4)OCC

DOS

IR

Vibrations