Geometry & MOs

Info

ID:	244407
PubChem CID:	99350629
Reduced:	SO3N4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	384.125612
ΔH_f, kcal/mol:	-46.94
Dipole, Da:	5.8
IP(EA), eV:	-7.77(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@@H](C2)CNC(=O)C3=CN=C4N(C3=O)C=CS4

DOS

IR

Vibrations