Geometry & MOs

Info

ID:	239521
PubChem CID:	93166629
Reduced:	ClN2S2O3C25H25 (1)
Stoich.:	AB2C2D3E25F25 (1)
Weight, g/mol:	494.143092
ΔH_f, kcal/mol:	-29.81
Dipole, Da:	9.23
IP(EA), eV:	-8.52(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@@H]2C3=C(CCN2C(=O)CN(C4CC4)C(=O)C5=CC=CS5)SC=C3)Cl

DOS

IR

Vibrations