Geometry & MOs

Info

ID:	239561
PubChem CID:	93166696
Reduced:	ClSN2O3C24H31 (1)
Stoich.:	ABC2D3E24F31 (1)
Weight, g/mol:	510.174392
ΔH_f, kcal/mol:	-118.27
Dipole, Da:	3.17
IP(EA), eV:	-8.78(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[2-[(4S)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations