Geometry & MOs

Info

ID:	239215
PubChem CID:	93166149
Reduced:	ClSN2O4C27H29 (1)
Stoich.:	ABC2D4E27F29 (1)
Weight, g/mol:	528.148571
ΔH_f, kcal/mol:	-110.04
Dipole, Da:	6.52
IP(EA), eV:	-8.83(-0.31)
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-(2-methoxyethyl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations