Geometry & MOs

Info

ID:	29336
PubChem CID:	833124
Reduced:	SN2O2H16C17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	-31.23
Dipole, Da:	7.34
IP(EA), eV:	-8.96(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (6S)-6-(2-hydroxynaphthalen-1-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)C

DOS

IR

Vibrations