Geometry & MOs

Info

ID:	239249
PubChem CID:	93166192
Reduced:	ClSN2O4C27H29 (1)
Stoich.:	ABC2D4E27F29 (1)
Weight, g/mol:	516.104119
ΔH_f, kcal/mol:	-105.26
Dipole, Da:	3.59
IP(EA), eV:	-8.89(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

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(=CC=C4)OC

DOS

IR

Vibrations