Geometry & MOs

Info

ID:

219963

PubChem CID:

85165091

Reduced:

SN5O6H29C33 (1)

Stoich.:

AB5C6D29E33 (1)

Weight, g/mol:

623.310769

ΔHf, kcal/mol:

-113.9

Dipole, Da:

2.1

IP(EA), eV:

 -8.82(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 17-ethenyl-12-ethyl-3-(3-methoxy-3-oxopropyl)-2,8,13,18-tetramethyl-7-(methylcarbamoyl)-2,3,23,24-tetrahydroporphyrin-5-carboxylate

Drug info:

PubChemData

Smile

C=C1C2=NC3=CC=CC=C3C(=O)N2C(C(=O)N1CCSO)CC4=CN(C5=CC=CC=C54)C(=O)CNC(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations