Geometry & MOs

Info

ID:	185516
PubChem CID:	77308967
Reduced:	ClIO2F3N5C28H32 (1)
Stoich.:	ABC2D3E5F28G32 (1)
Weight, g/mol:	529.203528
ΔH_f, kcal/mol:	-176.77
Dipole, Da:	4.28
IP(EA), eV:	-9.39(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[3-(3-methylbenzoyl)-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl]amino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CN(CC1CN(CC1C2=CC=C(C=C2)Cl)C(=O)C3CCN(CC3)C(=O)C4(CC4)CI)C5=NC=C(C=N5)C(F)(F)F

DOS

IR

Vibrations