Geometry & MOs

Info

ID:

82604

PubChem CID:

49856235

Reduced:

OC10H12 (2)

Stoich.:

AB10C12 (2)

Weight, g/mol:

583.23185

ΔHf, kcal/mol:

-52.88

Dipole, Da:

4.31

IP(EA), eV:

 -9.88(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[3-(1H-indol-3-yl)-2-[[2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]propanoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3C4[C@@H]2CC[C@]5([C@H]4C=CC5=O)C

DOS

IR

Vibrations