Geometry & MOs

Info

ID:	157423
PubChem CID:	56424104
Reduced:	SN2O2F3H13C15 (1)
Stoich.:	AB2C2D3E13F15 (1)
Weight, g/mol:	461.158469
ΔH_f, kcal/mol:	-195.52
Dipole, Da:	3.52
IP(EA), eV:	-8.38(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluorophenyl)-N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopentan-2-yl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CSC1=NC=C(C=C1)NC(=O)CC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations