Geometry & MOs

Info

ID:

239277

PubChem CID:

93166235

Reduced:

ClFSN2O3C27H28 (1)

Stoich.:

ABCD2E3F27G28 (1)

Weight, g/mol:

514.14932

ΔHf, kcal/mol:

-117.77

Dipole, Da:

2.91

IP(EA), eV:

 -9.04(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-N-[2-[(4S)-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@@H](C)N(CC(=O)N1CCC2=C([C@@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations