Geometry & MOs

Info

ID:	239942
PubChem CID:	93167214
Reduced:	FSN2O3C29H31 (1)
Stoich.:	ABC2D3E29F31 (1)
Weight, g/mol:	426.197714
ΔH_f, kcal/mol:	-92.87
Dipole, Da:	1.6
IP(EA), eV:	-8.73(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OC[C@H]2C3=C(CCN2C(=O)CN(C4CC4)C(=O)C5=CC=C(C=C5)F)SC=C3

DOS

IR

Vibrations