Geometry & MOs

Info

ID:	381891
PubChem CID:	134972752
Reduced:	SH5C9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	404.1139
ΔH_f, kcal/mol:	132.78
Dipole, Da:	1.32
IP(EA), eV:	-8.54(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations