Geometry & MOs

Info

ID:	157413
PubChem CID:	56424070
Reduced:	BrOSN2H11C13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	405.118084
ΔH_f, kcal/mol:	20.06
Dipole, Da:	3.56
IP(EA), eV:	-8.39(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-ylsulfonyl)-N-(6-methylsulfanylpyridin-3-yl)benzamide

Drug info:

PubChemData

Smile

CSC1=NC=C(C=C1)NC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations