Geometry & MOs

Info

ID:	204745
PubChem CID:	80003206
Reduced:	SN2O6C12H16 (1)
Stoich.:	AB2C6D12E16 (1)
Weight, g/mol:	290.101505
ΔH_f, kcal/mol:	-229.09
Dipole, Da:	4.56
IP(EA), eV:	-10.42(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2-methylpyrimidin-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCS(=O)(=O)C1)NC(=O)NCC2=CC=C(O2)C(=O)O

DOS

IR

Vibrations