Geometry & MOs

Info

ID:	155658
PubChem CID:	56366681
Reduced:	NSO5H21C24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	490.06405
ΔH_f, kcal/mol:	-117.67
Dipole, Da:	3.26
IP(EA), eV:	-8.68(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)OCC(=O)NC2=CC3=C(C=C2SC4=CC=CC=C4)OCCO3

DOS

IR

Vibrations