Geometry & MOs

Info

ID:	131916
PubChem CID:	51278882
Reduced:	ClN3O5C16H16 (1)
Stoich.:	AB3C5D16E16 (1)
Weight, g/mol:	317.00851
ΔH_f, kcal/mol:	-134.9
Dipole, Da:	4.14
IP(EA), eV:	-8.62(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-ethoxyacetamide

Drug info:

PubChemData

Smile

COCCN1C(=O)C=CC(=N1)C(=O)NC2=CC3=C(C=C2Cl)OCCO3

DOS

IR

Vibrations