Geometry & MOs

Info

ID:	165838
PubChem CID:	74604050
Reduced:	S2O3N5C17H23 (1)
Stoich.:	A2B3C5D17E23 (1)
Weight, g/mol:	429.147075
ΔH_f, kcal/mol:	-88.99
Dipole, Da:	9.8
IP(EA), eV:	-9.27(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(C)C)N

DOS

IR

Vibrations