Geometry & MOs

Info

ID:	210023
PubChem CID:	80751660
Reduced:	N3O6C10H13 (1)
Stoich.:	A3B6C10D13 (1)
Weight, g/mol:	312.023849
ΔH_f, kcal/mol:	-248.81
Dipole, Da:	5.25
IP(EA), eV:	-10.31(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CN1C(=O)C=CN(C1=O)CC(=O)N[C@H](CO)C(=O)O

DOS

IR

Vibrations