Geometry & MOs

Info

ID:	162508
PubChem CID:	57394893
Reduced:	NSO2C13H13 (2)
Stoich.:	ABC2D13E13 (2)
Weight, g/mol:	332.077338
ΔH_f, kcal/mol:	-86.86
Dipole, Da:	9.57
IP(EA), eV:	-9.28(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R,3S,4R,5S)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxy-1-bicyclo[3.1.0]hexanyl]ethylphosphonic acid

Drug info:

PubChemData

Smile

C1CC(=O)N([C@H]1/C=C/[C@H](CC2=CC(=CC=C2)C3=CC=CC=C3)O)CCSC4=NC(=CS4)C(=O)O

DOS

IR

Vibrations