Geometry & MOs

Info

ID:	168250
PubChem CID:	74940364
Reduced:	ClFSN2O2H13C18 (1)
Stoich.:	ABCD2E2F13G18 (1)
Weight, g/mol:	357.999264
ΔH_f, kcal/mol:	-16.42
Dipole, Da:	4.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.120315
Charge, e:	-2

Chem-info

IUPAC name:

4-chloro-3-[5-[(4-oxido-2,6-dioxopyrimidin-5-ylidene)methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C=C2C(=NC(=NC3=CC=C(C=C3)F)S2)[O-])Cl

DOS

IR

Vibrations