Geometry & MOs

Info

ID:	65923
PubChem CID:	46387061
Reduced:	N3O4H21C25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	486.124087
ΔH_f, kcal/mol:	-17.4
Dipole, Da:	2.96
IP(EA), eV:	-8.35(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[2-(3-chloroanilino)-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-cyclopropylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)C3=NN=C(C=C3)OC4=CC=CC=C4OC

DOS

IR

Vibrations