Geometry & MOs

Info

ID:

47453

PubChem CID:

10532853

Reduced:

BrS2C16H20 (2)

Stoich.:

AB2C16D20 (2)

Weight, g/mol:

714.290094

ΔHf, kcal/mol:

40.17

Dipole, Da:

2.61

IP(EA), eV:

 -8.92(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[7-(hydroxymethyl)-3,17-bis(2-methoxy-2-oxoethyl)-18-(3-methoxy-3-oxopropyl)-8,13,13-trimethyl-12-oxo-21,24-dihydroporphyrin-2-yl]propanoate

Drug info:

PubChemData

Smile

CCCCCCCCC1=C(SC(=C1)Br)C2=CC=C(S2)C3=CC=C(S3)C4=C(C=C(S4)Br)CCCCCCCC

DOS

IR

Vibrations