Geometry & MOs

Info

ID:

239852

PubChem CID:

93167116

Reduced:

SN2O3C30H36 (1)

Stoich.:

AB2C3D30E36 (1)

Weight, g/mol:

458.223929

ΔHf, kcal/mol:

-86.68

Dipole, Da:

3.04

IP(EA), eV:

 -8.62(-0.1)

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-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OC[C@H]2C3=C(CCN2C(=O)CN(C(C)C)C(=O)CC4=CC=CC=C4)SC=C3

DOS

IR

Vibrations