Geometry & MOs

Info

ID:	235396
PubChem CID:	92708327
Reduced:	ClSO2N3H16C17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	341.119798
ΔH_f, kcal/mol:	-12.07
Dipole, Da:	3.23
IP(EA), eV:	-8.89(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2,3-dimethylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NC1=CC(=C(C=C1)C)Cl)SC2=NC3=C(O2)C=CC=N3

DOS

IR

Vibrations