Geometry & MOs

Info

ID:	328059
PubChem CID:	126691892
Reduced:	O3C23H24 (1)
Stoich.:	A3B23C24 (1)
Weight, g/mol:	656.186223
ΔH_f, kcal/mol:	-84.69
Dipole, Da:	2.61
IP(EA), eV:	-8.8(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6,20-bis(3-sulfopropyl)-2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),4,10,12,15,21-hexaen-13-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)O)C2=C(C=CC(=C2)C(C)(C)C3=CC=C(C=C3)O)O

DOS

IR

Vibrations