Geometry & MOs

Info

ID:	370397
PubChem CID:	127338443
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	398.139033
ΔH_f, kcal/mol:	-31.87
Dipole, Da:	3.3
IP(EA), eV:	-8.49(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC=CS2)C(=O)NC3=NN(C=C3)CCN4CCOCC4

DOS

IR

Vibrations