Geometry & MOs

Info

ID:	133424
PubChem CID:	51525282
Reduced:	SO2N4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	391.135448
ΔH_f, kcal/mol:	17.62
Dipole, Da:	11.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.162255
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CCCNC(=O)C1=CC(=NC2=C1C(=NO2)C)C3=CC=CS3

DOS

IR

Vibrations