Geometry & MOs

Info

ID:	129341
PubChem CID:	51072323
Reduced:	ClSN2O2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	272.119464
ΔH_f, kcal/mol:	-68.67
Dipole, Da:	2.63
IP(EA), eV:	-9.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1-methoxypropan-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CSCC12C(=O)N(C(=O)N2)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations