Geometry & MOs

Info

ID:	54461
PubChem CID:	17388714
Reduced:	SO4N5H11C13 (1)
Stoich.:	AB4C5D11E13 (1)
Weight, g/mol:	391.99426
ΔH_f, kcal/mol:	15.89
Dipole, Da:	3.07
IP(EA), eV:	-9.76(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-methylsulfanyl-4-oxo-1H-pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CSC1=NC(=O)C=C(N1)C(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations