Geometry & MOs

Info

ID:	150370
PubChem CID:	53790059
Reduced:	O5H13C14 (2)
Stoich.:	A5B13C14 (2)
Weight, g/mol:	284.100836
ΔH_f, kcal/mol:	-357.39
Dipole, Da:	7.29
IP(EA), eV:	-11.16(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[[3-hydroxy-2,2-bis(hydroxymethyl)propanoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCC(OC(=O)C1=CC2=C(C=C1)C(=O)OC2=O)OC(=O)C3=CC4=C(C=C3)C(=O)OC4=O

DOS

IR

Vibrations