Geometry & MOs

Info

ID:

215095

PubChem CID:

85084150

Reduced:

BrClNSO6C27H38 (1)

Stoich.:

ABCDE6F27G38 (1)

Weight, g/mol:

700.310829

ΔHf, kcal/mol:

-241.02

Dipole, Da:

5.17

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755286

Charge, e:

 0

Chem-info

IUPAC name:

[2-[12-(3,5-dihydroxy-6-methyloxan-2-yl)-2,8,12,17-tetramethyl-3,13-dioxo-22,24-dihydroporphyrin-2-yl]-5-hydroxy-6-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=CCC1C(O1)(C)C2C(C(CCC2(C[S+](C)CC3=CC=C(C=C3)Br)O)OC(=O)NC(=O)CCl)OC)C

DOS

IR

Vibrations