Geometry & MOs

Info

ID:

178807

PubChem CID:

76384577

Reduced:

NSO5C27H39 (1)

Stoich.:

ABC5D27E39 (1)

Weight, g/mol:

739.321728

ΔHf, kcal/mol:

-214.14

Dipole, Da:

2.94

IP(EA), eV:

 -9.09(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[17-ethenyl-12-ethyl-7-methoxycarbonyl-3-(3-methoxy-3-oxopropyl)-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(CO1)C2CCCCC2)C3=C(SC(=C3)C#CC(C)(C)C)C(=O)O)CCC(C)(C)O

DOS

IR

Vibrations