Geometry & MOs

Info

ID:	310232
PubChem CID:	126577065
Reduced:	OSN2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	495.166177
ΔH_f, kcal/mol:	19.97
Dipole, Da:	1.98
IP(EA), eV:	-8.98(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-7-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)SC(=C2C=O)N3C=CC=C3

DOS

IR

Vibrations