Geometry & MOs

Info

ID:	239560
PubChem CID:	93166694
Reduced:	ClSN2O3C26H35 (1)
Stoich.:	ABC2D3E26F35 (1)
Weight, g/mol:	462.174392
ΔH_f, kcal/mol:	-133.34
Dipole, Da:	4.05
IP(EA), eV:	-9.11(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations