Geometry & MOs

Info

ID:	141900
PubChem CID:	52948996
Reduced:	SN3O3F4C24H25 (1)
Stoich.:	AB3C3D4E24F25 (1)
Weight, g/mol:	672.155986
ΔH_f, kcal/mol:	-255.37
Dipole, Da:	10.43
IP(EA), eV:	-9.66(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1Z,4Z,10Z,14Z)-18-(2-carboxyethyl)-3,8,13,17-tetramethyl-7,12-disulfo-21,22,23,24-tetrahydroporphyrin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1(CCC1)C(F)(F)F)CN(C2=CC=CC=C2)C3=NS(=O)(=O)C4=C3C=CC(=C4)F

DOS

IR

Vibrations