Geometry & MOs

Info

ID:	155755
PubChem CID:	56367357
Reduced:	BrO2S2N3H14C17 (1)
Stoich.:	AB2C2D3E14F17 (1)
Weight, g/mol:	362.0266
ΔH_f, kcal/mol:	-6.56
Dipole, Da:	6.5
IP(EA), eV:	-8.76(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-3-methoxybenzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)CC2=CSC(=N2)C3=CC=CS3

DOS

IR

Vibrations