Geometry & MOs

Info

ID:	159948
PubChem CID:	57299214
Reduced:	O2C5H11 (2)
Stoich.:	A2B5C11 (2)
Weight, g/mol:	609.111381
ΔH_f, kcal/mol:	-197.41
Dipole, Da:	0.6
IP(EA), eV:	-9.86(1.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-methyl-2-(1-methylpyrrole-2-carbonyl)-13-oxo-12,14-diaza-2-azoniapentacyclo[13.5.3.17,11.03,8.018,22]tetracosa-1(20),4,7,9,11(24),15(23),16,18,21-nonaene-3,19-disulfonic acid

Drug info:

PubChemData

Smile

CC(CCOC(C)OC)OCCOC

DOS

IR

Vibrations