Geometry & MOs

Info

ID:	239830
PubChem CID:	93167086
Reduced:	SN2O5C27H32 (1)
Stoich.:	AB2C5D27E32 (1)
Weight, g/mol:	508.219592
ΔH_f, kcal/mol:	-133.35
Dipole, Da:	4.53
IP(EA), eV:	-8.72(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-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(CC4=CC=CO4)C(=O)COC)SC=C3

DOS

IR

Vibrations