Geometry & MOs

Info

ID:	154805
PubChem CID:	56314330
Reduced:	BrO3N4H19C24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	453.01466
ΔH_f, kcal/mol:	-16.87
Dipole, Da:	5.16
IP(EA), eV:	-9.2(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations