Geometry & MOs

Info

ID:	239567
PubChem CID:	93166706
Reduced:	ClSN2O4C24H31 (1)
Stoich.:	ABC2D4E24F31 (1)
Weight, g/mol:	524.190042
ΔH_f, kcal/mol:	-154.71
Dipole, Da:	4.22
IP(EA), eV:	-9.0(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations