Geometry & MOs

Info

ID:	37857
PubChem CID:	8025131
Reduced:	BrOSF2N2H9C15 (1)
Stoich.:	ABCD2E2F9G15 (1)
Weight, g/mol:	394.109962
ΔH_f, kcal/mol:	-58.89
Dipole, Da:	2.17
IP(EA), eV:	-9.15(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[5-cyano-6-(furan-2-yl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-ethylphenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)SCC2=CC(=O)N3C=C(C=CC3=N2)Br

DOS

IR

Vibrations