Geometry & MOs

Info

ID:	45740
PubChem CID:	10517227
Reduced:	SCl2O5H6C8 (1)
Stoich.:	AB2C5D6E8 (1)
Weight, g/mol:	285.096085
ΔH_f, kcal/mol:	-192.61
Dipole, Da:	6.87
IP(EA), eV:	-10.64(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclopentyl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)Cl

DOS

IR

Vibrations