Geometry & MOs

Info

ID:	327044
PubChem CID:	126688914
Reduced:	N2S3O6C13H20 (1)
Stoich.:	A2B3C6D13E20 (1)
Weight, g/mol:	348.105647
ΔH_f, kcal/mol:	-227.89
Dipole, Da:	10.16
IP(EA), eV:	-8.63(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid

Drug info:

PubChemData

Smile

CCN[C@H]1C=C(SC2=C1C[C@@H](S2(=O)=O)C)S(=O)(=O)NC(=O)[C@H](C)O

DOS

IR

Vibrations