Geometry & MOs

Info

ID:	151665
PubChem CID:	56261038
Reduced:	BrO4N5C21H22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	402.99901
ΔH_f, kcal/mol:	-95.04
Dipole, Da:	11.86
IP(EA), eV:	-9.35(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C(C=NN12)C(=O)N)C)CCC(=O)NC(C3=CC=C(C=C3)Br)C(=O)OC

DOS

IR

Vibrations