Geometry & MOs

Info

ID:	396777
PubChem CID:	135029186
Reduced:	BrSC8H11 (1)
Stoich.:	ABC8D11 (1)
Weight, g/mol:	469.203528
ΔH_f, kcal/mol:	0.27
Dipole, Da:	1.51
IP(EA), eV:	-9.08(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3S)-2-(4-methoxyanilino)-4-oxo-4-(1-propan-2-ylimidazol-2-yl)-3-thiophen-2-ylbutanoate

Drug info:

PubChemData

Smile

CCCC1=CC(=C(S1)C)Br

DOS

IR

Vibrations