Geometry & MOs

Info

ID:	133738
PubChem CID:	51584807
Reduced:	ClO2N5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	432.110356
ΔH_f, kcal/mol:	20.36
Dipole, Da:	9.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.107360
Charge, e:	0

Chem-info

IUPAC name:

[(4R)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NN2C(=CC(=NC2=C1)C3CC[NH+](CC3)CC4=CC5=C(C=C4Cl)OCO5)N

DOS

IR

Vibrations