Geometry & MOs

Info

ID:	203889
PubChem CID:	79889509
Reduced:	NSO4H9C10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	213.020812
ΔH_f, kcal/mol:	-46.03
Dipole, Da:	4.32
IP(EA), eV:	-9.59(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

COC(=O)C=CSC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations