Geometry & MOs

Info

ID:	133149
PubChem CID:	51484899
Reduced:	ClSN3O3H20C22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	476.092119
ΔH_f, kcal/mol:	-53.16
Dipole, Da:	4.69
IP(EA), eV:	-8.35(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC)SC3=C(C=CC=N3)Cl

DOS

IR

Vibrations