Geometry & MOs

Info

ID:	89940
PubChem CID:	49965484
Reduced:	BrSO2N5H12C17 (1)
Stoich.:	ABC2D5E12F17 (1)
Weight, g/mol:	368.148455
ΔH_f, kcal/mol:	31.82
Dipole, Da:	12.33
IP(EA), eV:	-8.99(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-5-(3-ethoxy-4-propoxyphenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

CNC1=NC2=C(S1)C3=C(C(C(=C(O3)N)C#N)C4=CC=C(C=C4)Br)C(=O)N2

DOS

IR

Vibrations