Geometry & MOs

Info

ID:	29918
PubChem CID:	838218
Reduced:	SN2O3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-73.15
Dipole, Da:	4.92
IP(EA), eV:	-8.55(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C([C@H](NC(=S)N1)C2=CC=C(C3=CC=CC=C23)OC)C(=O)OC

DOS

IR

Vibrations