Geometry & MOs

Info

ID:	54459
PubChem CID:	17388709
Reduced:	FSO2N4H13C14 (1)
Stoich.:	ABC2D4E13F14 (1)
Weight, g/mol:	379.99426
ΔH_f, kcal/mol:	-35.41
Dipole, Da:	8.51
IP(EA), eV:	-9.55(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(3-bromophenyl)methylideneamino]-2-ethylsulfanyl-4-oxo-1H-pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCSC1=NC(=O)C=C(N1)C(=O)N/N=C/C2=CC=C(C=C2)F

DOS

IR

Vibrations