Geometry & MOs

Info

ID:	56268
PubChem CID:	17422912
Reduced:	BrSN2O2H11C14 (1)
Stoich.:	ABC2D2E11F14 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-6.75
Dipole, Da:	0.59
IP(EA), eV:	-8.95(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCCN2C=NC3=C(C2=O)SC=C3)Br

DOS

IR

Vibrations