Geometry & MOs

Info

ID:

239419

PubChem CID:

93166463

Reduced:

ClFSN2O3H26C27 (1)

Stoich.:

ABCD2E3F26G27 (1)

Weight, g/mol:

512.13367

ΔHf, kcal/mol:

-86.47

Dipole, Da:

7.24

IP(EA), eV:

 -9.2(-0.67)

Spin(Sz, 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]-N-(cyclopropylmethyl)-2-fluorobenzamide

Drug info:

PubChemData

Smile

C1CC1CN(CC(=O)N2CCC3=C([C@@H]2COC4=CC=C(C=C4)Cl)C=CS3)C(=O)C5=CC=CC=C5F

DOS

IR

Vibrations