Geometry & MOs

Info

ID:

26006

PubChem CID:

635556

Reduced:

NOC34H51 (1)

Stoich.:

ABC34D51 (1)

Weight, g/mol:

616.326085

ΔHf, kcal/mol:

-86.65

Dipole, Da:

3.01

IP(EA), eV:

 -7.93(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[2-[[5-[(4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC5=C(C4)C6=C(N5)C=CC(=C6)OC)C)C

DOS

IR

Vibrations