Geometry & MOs

Info

ID:	140098
PubChem CID:	52646677
Reduced:	N2O2F3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	395.101371
ΔH_f, kcal/mol:	-209.28
Dipole, Da:	6.1
IP(EA), eV:	-8.19(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)sulfanyl-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=O)COC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations