Geometry & MOs

Info

ID:	188841
PubChem CID:	77772907
Reduced:	Br2N2O5H22C24 (1)
Stoich.:	A2B2C5D22E24 (1)
Weight, g/mol:	438.161329
ΔH_f, kcal/mol:	-128.24
Dipole, Da:	3.92
IP(EA), eV:	-9.3(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,3-dimethyl-1-oxo-1-(phenacylamino)butan-2-yl]-4-methoxy-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=CC1Br)C2=CC=C(C=C2)CC(C(=O)OC)NC(=O)C3=C(C=CC(=C3)OC)Br

DOS

IR

Vibrations