Geometry & MOs

Info

ID:	29343
PubChem CID:	833175
Reduced:	BrClSN2O2H8C11 (1)
Stoich.:	ABCD2E2F8G11 (1)
Weight, g/mol:	341.137556
ΔH_f, kcal/mol:	-14.95
Dipole, Da:	2.92
IP(EA), eV:	-9.19(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-(2-ethoxynaphthalen-1-yl)-3,4-dimethyl-5-nitro-1,6-dihydropyrimidin-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)Cl)OCC(=O)NC2=NC=CS2

DOS

IR

Vibrations