Geometry & MOs

Info

ID:	381979
PubChem CID:	134972870
Reduced:	OS2H12C19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	320.137222
ΔH_f, kcal/mol:	91.5
Dipole, Da:	3.41
IP(EA), eV:	-8.39(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]iminoacetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C#CC2=CC3=C(S2)C=CC4=C3C=CS4

DOS

IR

Vibrations