Geometry & MOs

Info

ID:	26223
PubChem CID:	641387
Reduced:	SSeC3N3H4 (2)
Stoich.:	ABC3D3E4 (2)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	135.16
Dipole, Da:	6.23
IP(EA), eV:	-8.89(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-phenylbutanoate

Drug info:

PubChemData

Smile

CNC1=NN=C(S1)[Se][Se]C2=NN=C(S2)NC

DOS

IR

Vibrations