Geometry & MOs

Info

ID:	239206
PubChem CID:	93166139
Reduced:	ClFSN2O4C26H26 (1)
Stoich.:	ABCD2E4F26G26 (1)
Weight, g/mol:	516.128584
ΔH_f, kcal/mol:	-142.47
Dipole, Da:	2.41
IP(EA), eV:	-9.02(-0.58)
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]-3-fluoro-N-(2-methoxyethyl)benzamide

Drug info:

PubChemData

Smile

COCCN(CC(=O)N1CCC2=C([C@@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations