Geometry & MOs

Info

ID:	268866
PubChem CID:	103601297
Reduced:	BrINSH9C15 (1)
Stoich.:	ABCDE9F15 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	103.79
Dipole, Da:	1.28
IP(EA), eV:	-9.13(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-phenylacetate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C2=NC(=CS2)C3=CC=C(C=C3)I

DOS

IR

Vibrations