Geometry & MOs

Info

ID:	239232
PubChem CID:	93166172
Reduced:	ClN2S2O3C24H25 (1)
Stoich.:	AB2C2D3E24F25 (1)
Weight, g/mol:	434.143092
ΔH_f, kcal/mol:	-58.73
Dipole, Da:	4.23
IP(EA), eV:	-8.88(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4=CC=CS4

DOS

IR

Vibrations