Geometry & MOs

Info

ID:	40573
PubChem CID:	8144359
Reduced:	F3N3O4H16C18 (1)
Stoich.:	A3B3C4D16E18 (1)
Weight, g/mol:	404.134068
ΔH_f, kcal/mol:	-206.45
Dipole, Da:	3.0
IP(EA), eV:	-9.06(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[methyl-[(1R)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]amino]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C[C@@H](C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C(F)(F)F

DOS

IR

Vibrations