Geometry & MOs

Info

ID:	181381
PubChem CID:	76738637
Reduced:	SN2O2C12H17 (2)
Stoich.:	AB2C2D12E17 (2)
Weight, g/mol:	543.273321
ΔH_f, kcal/mol:	-39.85
Dipole, Da:	12.14
IP(EA), eV:	-4.58(-3.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-[[5-(4-ethoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]oxyacetate

Drug info:

PubChemData

Smile

CC(C)CCC=CC1CC(=O)NCC2=NC(=CS2)C3=NC(CS3)(C(=O)NC(C(=O)O1)C(C)C)C

DOS

IR

Vibrations