Geometry & MOs

Info

ID:	157167
PubChem CID:	56422215
Reduced:	BrN2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	432.136845
ΔH_f, kcal/mol:	-105.97
Dipole, Da:	5.25
IP(EA), eV:	-9.08(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-imidazol-1-ylpropanoylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1COC2=C(C=CC=C2O1)CNC(=O)CNC(=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations