Geometry & MOs

Info

ID:	239600
PubChem CID:	93166774
Reduced:	ClSN2O3C27H37 (1)
Stoich.:	ABC2D3E27F37 (1)
Weight, g/mol:	476.190042
ΔH_f, kcal/mol:	-139.92
Dipole, Da:	3.57
IP(EA), eV:	-8.75(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations