Geometry & MOs

Info

ID:

308180

PubChem CID:

125317227

Reduced:

O21C34H62 (1)

Stoich.:

A21B34C62 (1)

Weight, g/mol:

458.184172

ΔHf, kcal/mol:

-990.25

Dipole, Da:

2.39

IP(EA), eV:

 -10.45(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(3R)-6-methoxy-3H-indol-3-yl]ethyl]-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide

Drug info:

PubChemData

Smile

CCCCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O

DOS

IR

Vibrations