Geometry & MOs

Info

ID:	273778
PubChem CID:	103799614
Reduced:	BrClNO3C12H15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	-118.73
Dipole, Da:	3.23
IP(EA), eV:	-10.06(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylsulfanylacetamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=C(C=C(C=C1)Br)Cl

DOS

IR

Vibrations