Geometry & MOs

Info

ID:	148628
PubChem CID:	53788296
Reduced:	H2C3 (11)
Stoich.:	A2B3 (11)
Weight, g/mol:	573.174729
ΔH_f, kcal/mol:	134.06
Dipole, Da:	0.21
IP(EA), eV:	-8.62(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,6-dihydroxy-4-[3-(1H-indole-5-carbonylamino)azepan-4-yl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C4=CC=CC=C42)C5C6=CC=CC=C6C7=CC=CC=C57

DOS

IR

Vibrations