Geometry & MOs

Info

ID:	147389
PubChem CID:	53787045
Reduced:	N4O4C13H20 (1)
Stoich.:	A4B4C13D20 (1)
Weight, g/mol:	337.127385
ΔH_f, kcal/mol:	-38.14
Dipole, Da:	4.87
IP(EA), eV:	-9.02(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-ethynyl-2-oxopyrimidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C(=C1[N+](=O)[O-])NC(C)CC)[N+](=O)[O-])N)C

DOS

IR

Vibrations