Geometry & MOs

Info

ID:	33598
PubChem CID:	7887118
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	388.97213
ΔH_f, kcal/mol:	-162.87
Dipole, Da:	2.33
IP(EA), eV:	-8.67(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromoanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[C@@]2(C(=O)N(C(=O)N2)CC(=O)C3=C(C=CC(=C3)OC)OC)C

DOS

IR

Vibrations