Geometry & MOs

Info

ID:	178678
PubChem CID:	76368511
Reduced:	ClFO2N5C22H25 (1)
Stoich.:	ABC2D5E22F25 (1)
Weight, g/mol:	872.545186
ΔH_f, kcal/mol:	-89.13
Dipole, Da:	5.85
IP(EA), eV:	-8.86(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[18-(2-carboxyethyl)-7-ethenyl-17-formyl-12-(1-hydroxy-5,9,13,17-tetramethyloctadeca-8,12,16-trienyl)-3,8,13-trimethyl-7,8,21,22,23,24-hexahydroporphyrin-2-yl]propanoic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC1CC(=O)NC(N1)C2=CN=C(C=C2)N3CCN(CC3)C(=O)C4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC1CC(=O)NC(N1)C2=CN=C(C=C2)N3CCN(CC3)C(=O)C4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):