Geometry & MOs

Info

ID:	138862
PubChem CID:	52435703
Reduced:	NSF2O6C21H27 (1)
Stoich.:	ABC2D6E21F27 (1)
Weight, g/mol:	381.120382
ΔH_f, kcal/mol:	-332.52
Dipole, Da:	4.59
IP(EA), eV:	-9.17(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-chloro-N-(2-methoxyethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C/C(=O)N(C[C@@H]2CCCO2)[C@@H]3CCS(=O)(=O)C3)OC(F)F

DOS

IR

Vibrations