Geometry & MOs

Info

ID:	404349
PubChem CID:	135065924
Reduced:	SC12H19 (2)
Stoich.:	AB12C19 (2)
Weight, g/mol:	231.100777
ΔH_f, kcal/mol:	-15.25
Dipole, Da:	2.56
IP(EA), eV:	-8.14(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (Z)-2-azido-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCS/C(=C\C#CC12CC3CC(C1)CC(C3)C2)/SC(C)(C)C

DOS

IR

Vibrations