Geometry & MOs

Info

ID:	413974
PubChem CID:	135086926
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	284.9823
ΔH_f, kcal/mol:	-82.23
Dipole, Da:	5.26
IP(EA), eV:	-9.34(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-(4-bromophenyl)-2-methylsulfanylethenyl]acetamide

Drug info:

PubChemData

Smile

CCCC1=NC(=CC=C1)N2[C@H](COC2=O)C(C)C

DOS

IR

Vibrations