Geometry & MOs

Info

ID:	231800
PubChem CID:	87574681
Reduced:	NO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	503.139403
ΔH_f, kcal/mol:	-118.99
Dipole, Da:	3.61
IP(EA), eV:	-9.34(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 2-[[5-(5-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=CC(=C1)/C=C/C2=CC(=C(C=C2)C=O)OC)NC(=O)O

DOS

IR

Vibrations