Geometry & MOs

Info

ID:	239223
PubChem CID:	93166161
Reduced:	ClSN2O5C24H25 (1)
Stoich.:	ABC2D5E24F25 (1)
Weight, g/mol:	500.13367
ΔH_f, kcal/mol:	-127.19
Dipole, Da:	5.93
IP(EA), eV:	-8.89(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-fluoro-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

COCC(=O)N(CC1=CC=CO1)CC(=O)N2CCC3=C([C@@H]2COC4=CC=C(C=C4)Cl)C=CS3

DOS

IR

Vibrations