Geometry & MOs

Info

ID:	165975
PubChem CID:	74620982
Reduced:	SO2F4N4H14C17 (1)
Stoich.:	AB2C4D4E14F17 (1)
Weight, g/mol:	456.273656
ΔH_f, kcal/mol:	-192.74
Dipole, Da:	3.37
IP(EA), eV:	-9.34(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-2-methoxyphenyl)-7-cyclopropyl-2,4-dioxo-1-propyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2C(=O)NC(NN2)SCC(=O)NC3=CC(=C(C=C3)F)F)F)F

DOS

IR

Vibrations