Geometry & MOs

Info

ID:

239770

PubChem CID:

93167006

Reduced:

SN3O3C31H43 (1)

Stoich.:

AB3C3D31E43 (1)

Weight, g/mol:

513.266128

ΔHf, kcal/mol:

-113.83

Dipole, Da:

2.24

IP(EA), eV:

 -8.63(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxy-N-[2-oxo-2-[(4S)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OC[C@H]2C3=C(CCN2C(=O)CN(CCN4CCCC4)C(=O)C5CCCC5)SC=C3

DOS

IR

Vibrations