Geometry & MOs

Info

ID:

239837

PubChem CID:

93167097

Reduced:

SN2O4C30H36 (1)

Stoich.:

AB2C4D30E36 (1)

Weight, g/mol:

520.239579

ΔHf, kcal/mol:

-108.95

Dipole, Da:

4.53

IP(EA), eV:

 -8.68(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methoxy-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations