Geometry & MOs

Info

ID:	239468
PubChem CID:	93166536
Reduced:	ClSN2O4C27H27 (1)
Stoich.:	ABC2D4E27F27 (1)
Weight, g/mol:	514.088469
ΔH_f, kcal/mol:	-71.32
Dipole, Da:	4.68
IP(EA), eV:	-8.84(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations