Geometry & MOs

Info

ID:	83416
PubChem CID:	49857567
Reduced:	PSN2O12C33H49 (1)
Stoich.:	ABC2D12E33F49 (1)
Weight, g/mol:	480.132136
ΔH_f, kcal/mol:	-553.65
Dipole, Da:	2.83
IP(EA), eV:	-8.91(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[amino-(3,5-dibenzoylbenzoyl)amino]-5-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(COC1=CC=C(C=C1)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)OC)O)NC(=O)OC3CO[C@@H]4[C@H]3CCO4)OCC

DOS

IR

Vibrations