Geometry & MOs

Info

ID:	313313
PubChem CID:	126613692
Reduced:	SN4O4C22H26 (1)
Stoich.:	AB4C4D22E26 (1)
Weight, g/mol:	459.15764
ΔH_f, kcal/mol:	-102.8
Dipole, Da:	6.53
IP(EA), eV:	-9.02(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[6-[(2,4-dimethoxyphenyl)methyl]-5-(dimethylamino)-7-oxo-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=C2C(=N1)SC(=N2)[C@H]3CCCN3C(=O)O)OCC4=CC=C(C=C4)OC

DOS

IR

Vibrations