Geometry & MOs

Info

ID:	239361
PubChem CID:	93166363
Reduced:	ClFSN2O3C27H28 (1)
Stoich.:	ABCD2E3F27G28 (1)
Weight, g/mol:	514.14932
ΔH_f, kcal/mol:	-119.41
Dipole, Da:	7.1
IP(EA), eV:	-9.21(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-fluorobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations