Geometry & MOs

Info

ID:	239174
PubChem CID:	93166088
Reduced:	NO2C20H25 (1)
Stoich.:	AB2C20D25 (1)
Weight, g/mol:	514.14932
ΔH_f, kcal/mol:	-29.79
Dipole, Da:	2.07
IP(EA), eV:	-8.81(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-fluoro-N-(2-methylpropyl)benzamide

Drug info:

PubChemData

Smile

C[C@](CN(CC1=CC=CC=C1)CC2=CC(=CC=C2)OC)(C=C)O

DOS

IR

Vibrations