Geometry & MOs

Info

ID:	154813
PubChem CID:	56314338
Reduced:	BrN4O4H19C23 (1)
Stoich.:	AB4C4D19E23 (1)
Weight, g/mol:	474.03612
ΔH_f, kcal/mol:	-62.69
Dipole, Da:	5.19
IP(EA), eV:	-9.32(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)NC4=CC=CC(=C4)C(=O)NC5=NC=C(C=C5)Br

DOS

IR

Vibrations