Geometry & MOs

Info

ID:

168742

PubChem CID:

75013104

Reduced:

S2O8N9C22H39 (1)

Stoich.:

A2B8C9D22E39 (1)

Weight, g/mol:

576.238413

ΔHf, kcal/mol:

-382.66

Dipole, Da:

4.23

IP(EA), eV:

 -9.13(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

but-2-enedioic acid;4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-1-one

Drug info:

PubChemData

Smile

CC(=O)NC(CS)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(C(=O)N)C(C)(C)S

DOS

IR

Vibrations