Geometry & MOs

Info

ID:	239466
PubChem CID:	93166534
Reduced:	ClSN2O3C27H27 (1)
Stoich.:	ABC2D3E27F27 (1)
Weight, g/mol:	510.138006
ΔH_f, kcal/mol:	-44.8
Dipole, Da:	5.58
IP(EA), eV:	-9.24(-0.62)
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-methoxy-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N(CC=C)CC(=O)N2CCC3=C([C@H]2COC4=CC=C(C=C4)Cl)C=CS3

DOS

IR

Vibrations