Geometry & MOs

Info

ID:	313312
PubChem CID:	126613689
Reduced:	NO4C14H26 (2)
Stoich.:	AB4C14D26 (2)
Weight, g/mol:	442.167477
ΔH_f, kcal/mol:	-278.09
Dipole, Da:	2.06
IP(EA), eV:	-9.37(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[5-tert-butyl-7-[(4-methoxyphenyl)methoxy]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC(CC(N1OO)(C)C)OC(=O)CCCCCCCCC(=O)OC2CC(N(C(C2)(C)C)OO)(C)C)C

DOS

IR

Vibrations