Geometry & MOs

Info

ID:	121014
PubChem CID:	50753307
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	345.078327
ΔH_f, kcal/mol:	-20.67
Dipole, Da:	3.64
IP(EA), eV:	-8.7(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl 2-[[5-cyano-6-(furan-2-yl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)COC2=CC=CC=C2C3=NOC(=N3)C

DOS

IR

Vibrations