Geometry & MOs

Info

ID:	145162
PubChem CID:	53472801
Reduced:	SO4H12C18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	381.063071
ΔH_f, kcal/mol:	-91.98
Dipole, Da:	2.26
IP(EA), eV:	-9.64(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-5-oxo-5-(1,3-thiazol-2-ylamino)-4-[(3,4,5-trihydroxybenzoyl)amino]pentanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(S2)C3=CC=C(C=C3)C(=O)O)C(=O)O

DOS

IR

Vibrations