Geometry & MOs

Info

ID:	28443
PubChem CID:	827627
Reduced:	NO2H21C22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	344.067618
ΔH_f, kcal/mol:	-27.46
Dipole, Da:	3.27
IP(EA), eV:	-8.67(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-7-amino-5-(2-chlorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C

DOS

IR

Vibrations