Geometry & MOs

Info

ID:	29796
PubChem CID:	837384
Reduced:	SN2O4H14C15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	291.085521
ΔH_f, kcal/mol:	-12.38
Dipole, Da:	3.69
IP(EA), eV:	-8.84(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-5-acetyl-4-(2-hydroxy-5-nitrophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

C1COCCN1C(=S)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations