Geometry & MOs

Info

ID:	24116
PubChem CID:	607903
Reduced:	ClSN2O2C13H15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	298.054277
ΔH_f, kcal/mol:	-60.28
Dipole, Da:	3.02
IP(EA), eV:	-9.17(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CSC1=NC2=C(O1)C=C(C=C2)Cl

DOS

IR

Vibrations