Geometry & MOs

Info

ID:	47418
PubChem CID:	10532494
Reduced:	SN2O4H12C14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	672.137178
ΔH_f, kcal/mol:	-86.59
Dipole, Da:	2.31
IP(EA), eV:	-9.01(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-10,15-bis(2,3,4,5,6-pentafluorophenyl)-22,24-dihydro-2H-porphyrin

Drug info:

PubChemData

Smile

CC1=C2C(=C(C(=N1)C)C(=O)OC)C3=C(N(C2=O)O)SC=C3

DOS

IR

Vibrations