Geometry & MOs

Info

ID:	239453
PubChem CID:	93166512
Reduced:	ClSN2O4C27H27 (1)
Stoich.:	ABC2D4E27F27 (1)
Weight, g/mol:	460.158742
ΔH_f, kcal/mol:	-69.71
Dipole, Da:	3.88
IP(EA), eV:	-9.2(-0.46)
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]-3-methyl-N-prop-2-enylbutanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N(CC=C)CC(=O)N2CCC3=C([C@H]2COC4=CC=C(C=C4)Cl)C=CS3

DOS

IR

Vibrations