Geometry & MOs

Info

ID:	137445
PubChem CID:	52208977
Reduced:	SN2O4H16C19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	292.153541
ΔH_f, kcal/mol:	-90.32
Dipole, Da:	12.23
IP(EA), eV:	-8.87(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C=C(C3=C2[C@@H](CC(=O)N3)C4=CC=CS4)C(=O)O

DOS

IR

Vibrations