Geometry & MOs

Info

ID:

190766

PubChem CID:

78053497

Reduced:

N3O31C42H71 (1)

Stoich.:

A3B31C42D71 (1)

Weight, g/mol:

274.023455

ΔHf, kcal/mol:

-1405.0

Dipole, Da:

8.7

IP(EA), eV:

 -10.14(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(1-benzothiophen-3-ylmethylidene)-2-methylsulfanyl-1H-imidazol-4-one

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1OCC2C(C(C(C(O2)O)NC(=O)C)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)CO)O)O)O)NC(=O)C)O)O)CO)OC6C(C(C(C(O6)CO)O)O)O)O

DOS

IR

Vibrations