Geometry & MOs

Info

ID:	143136
PubChem CID:	53152094
Reduced:	F2O2S2N4H12C13 (1)
Stoich.:	A2B2C2D4E12F13 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-82.55
Dipole, Da:	7.05
IP(EA), eV:	-9.03(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(N2C(=N1)SC(=N2)C)S(=O)(=O)NC3=C(C=CC(=C3)F)F

DOS

IR

Vibrations