Geometry & MOs

Info

ID:

236070

PubChem CID:

92711449

Reduced:

SN2O3C29H32 (1)

Stoich.:

AB2C3D29E32 (1)

Weight, g/mol:

488.213364

ΔHf, kcal/mol:

-29.51

Dipole, Da:

5.11

IP(EA), eV:

 -8.49(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,3-dimethoxyphenyl)-4-[[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]methyl]-5-methyl-1,3-oxazole

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@@H]2C3=CC=CC=C3)CC4=C(OC(=N4)C5=C(C(=CC=C5)OC)OC)C)C

DOS

IR

Vibrations