Geometry & MOs

Info

ID:	307822
PubChem CID:	125309608
Reduced:	O3N5C15H21 (1)
Stoich.:	A3B5C15D21 (1)
Weight, g/mol:	353.00112
ΔH_f, kcal/mol:	-36.94
Dipole, Da:	4.55
IP(EA), eV:	-9.22(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(5S)-2,6-dioxo-5H-pyrimidin-5-yl]-2-ethoxybenzamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCN1[C@@H](N=C2C=CN=C2C1=O)N=CN(C)C

DOS

IR

Vibrations