Geometry & MOs

Info

ID:	147469
PubChem CID:	53787125
Reduced:	SN4O4H10C12 (1)
Stoich.:	AB4C4D10E12 (1)
Weight, g/mol:	329.072179
ΔH_f, kcal/mol:	-38.07
Dipole, Da:	4.9
IP(EA), eV:	-9.76(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(dibenzoylamino)-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CON=C(C2=CSC(=N2)NC=O)C(=O)O

DOS

IR

Vibrations