Geometry & MOs

Info

ID:	135640
PubChem CID:	51907591
Reduced:	SN6C18H18 (1)
Stoich.:	AB6C18D18 (1)
Weight, g/mol:	359.00184
ΔH_f, kcal/mol:	150.68
Dipole, Da:	6.06
IP(EA), eV:	-9.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-iodobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2S1)N(C)CC3=NN=NN3C4=CC=CC=C4

DOS

IR

Vibrations