Geometry & MOs

Info

ID:	239427
PubChem CID:	93166474
Reduced:	ClSN2O3C28H29 (1)
Stoich.:	ABC2D3E28F29 (1)
Weight, g/mol:	528.16497
ΔH_f, kcal/mol:	-42.8
Dipole, Da:	4.39
IP(EA), eV:	-9.22(-0.51)
Spin(S_z, 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]-4-fluoro-N-(3-methylbutyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N(CC2CC2)CC(=O)N3CCC4=C([C@H]3COC5=CC=C(C=C5)Cl)C=CS4

DOS

IR

Vibrations