Geometry & MOs

Info

ID:	219501
PubChem CID:	85148765
Reduced:	IN2O4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	518.223745
ΔH_f, kcal/mol:	-84.81
Dipole, Da:	4.64
IP(EA), eV:	-9.44(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[14-[3-(diaminomethylideneamino)propyl]-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-8-yl]acetic acid

Drug info:

PubChemData

Smile

C1C(C1(COCC2=CC=CC=C2)COCC3=CC=CC=C3)N4CC(C(=O)NC4=O)I

DOS

IR

Vibrations