Geometry & MOs

Info

ID:	270975
PubChem CID:	103639056
Reduced:	BrNO2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	344.9823
ΔH_f, kcal/mol:	-33.7
Dipole, Da:	3.64
IP(EA), eV:	-9.23(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2CC3=CC=CC=C3O2

DOS

IR

Vibrations