Geometry & MOs

Info

ID:	153349
PubChem CID:	56312534
Reduced:	BrN4O4H13C16 (1)
Stoich.:	AB4C4D13E16 (1)
Weight, g/mol:	458.04121
ΔH_f, kcal/mol:	-2.59
Dipole, Da:	6.05
IP(EA), eV:	-9.4(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1C(C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations