Geometry & MOs

Info

ID:	45008
PubChem CID:	10507134
Reduced:	SO6C11H21 (2)
Stoich.:	AB6C11D21 (2)
Weight, g/mol:	563.257277
ΔH_f, kcal/mol:	-546.8
Dipole, Da:	4.29
IP(EA), eV:	-9.77(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-4-(benzhydrylideneamino)-4-cyano-2-(tritylamino)butanoate

Drug info:

PubChemData

Smile

C/C=C/[C@@H](OCOC)[C@@H](O)CC[C@@H](OS(=O)(=O)C)[C@H](OS(=O)(=O)C)CC[C@H](O)[C@H](OCOC)/C=C/C

DOS

IR

Vibrations