Geometry & MOs

Info

ID:

45015

PubChem CID:

10507204

Reduced:

N2O8C31H38 (1)

Stoich.:

A2B8C31D38 (1)

Weight, g/mol:

566.289306

ΔHf, kcal/mol:

-312.72

Dipole, Da:

3.51

IP(EA), eV:

 -9.37(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (17S,18S)-12-ethenyl-7-ethyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-17,18,21,23-tetrahydroporphyrin-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H]1CC[C@@H](N1C(=O)OCC2=CC=CC=C2)CC/C=C(/C(=O)OC)\NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations